1856

N         28.50900       40.32700        5.45700
C         29.41900       39.28400        4.99400
C         28.90500       38.59300        3.74100
O         27.74900       38.78300        3.36100
C         29.46600       38.30000        6.16800
C         28.19900       38.52400        6.91600
C         27.83600       39.96600        6.71600
N         29.79500       37.88900        3.05200
C         29.38900       36.92200        2.04800
C         29.54700       35.52000        2.60100
O         30.63000       35.13400        3.04400
C         30.22500       37.06100        0.78300
C         29.84800       36.04400       -0.28100
C         30.42400       36.37300       -1.63900
O         31.34900       35.70700       -2.10400
N         29.77700       37.28800       -2.34400
N         28.45300       34.77000        2.59800
C         28.43700       33.45600        3.21200
C         28.33300       32.38400        2.14400
O         27.39400       32.36500        1.35000
C         27.26500       33.31800        4.19300
C         27.29900       34.48600        5.18700
C         27.27500       31.94600        4.85500
C         27.73200       34.07600        6.59100
C         27.21000       34.12300        6.65900
N         29.36000       31.54100        2.10500
C         29.45900       30.44500        1.16500
C         28.44700       29.36200        1.52700
O         27.96300       29.30400        2.65800
C         30.88700       29.83800        1.21400
O         30.99000       28.75300        0.29100
C         31.20500       29.33200        2.60500
N         28.06900       28.55300        0.54700
C         27.11900       27.47300        0.79500
C         27.74800       26.09200        0.62000
O         27.05000       25.08500        0.63000
C         25.89500       27.62900       -0.11100
C         25.05400       28.87000        0.19500
C         23.98700       29.05600       -0.87100
C         24.42600       28.77800        1.57800
N         29.07300       26.02600        0.68700
C         29.74000       24.73300        0.75400
C         29.34300       24.00100        2.02500
O         29.35800       22.77000        2.07000
C         31.25400       24.90700        0.72600
C         31.75000       25.53400       -0.52700
C         32.43400       26.70800       -0.63300
C         31.78500       24.93200       -1.82500
N         32.80800       26.91900       -1.93300
C         32.48900       25.80900       -2.67000
C         31.31000       23.72700       -2.34700
C         32.69200       25.53800       -4.02400
C         31.54600       23.44200       -3.68300
C         32.26100       24.33000       -4.49700
N         29.19400       24.76400        3.10300
C         28.72900       24.21800        4.37300
C         27.37800       24.82200        4.73100
O         26.98600       25.84700        4.18100
C         29.73600       24.51600        5.48500
C         31.06200       23.78100        5.33500
C         32.01300       24.47000        4.37000
O         32.17300       25.69100        4.40000
N         32.70700       23.68100        3.56400
N         26.71500       24.23700        5.71900
C         25.48600       24.81400        6.25200
C         25.75200       26.22500        6.76300
O         26.75100       26.46100        7.44500
C         24.95000       23.95200        7.39300
C         24.43800       22.59800        6.94800
C         24.11700       21.71100        8.13600
N         23.67000       20.39400        7.69800
C         23.74000       19.29500        8.43800
N         24.17400       19.36300        9.69000
N         23.32800       18.13800        7.94200
N         24.87100       27.17700        6.41700
C         25.08500       28.56800        6.82800
C         24.60000       28.82100        8.25400
O         23.49700       29.33000        8.47100
C         24.26900       29.36500        5.81100
C         23.18500       28.43000        5.39400
C         23.78000       27.05200        5.43500
N         25.39700       28.38500        9.21900
C         25.06000       28.54000       10.62200
C         25.63900       29.83000       11.17200
O         26.77800       30.19300       10.87000
C         25.59800       27.35400       11.41600
C         24.97600       26.00200       11.07800
C         25.84800       24.88400       11.62100
C         23.56600       25.91800       11.63900
N         24.84200       30.52500       11.97100
C         25.27800       31.74000       12.63100
C         24.86600       31.73000       14.09200
O         23.98300       30.97400       14.49700
C         24.68300       32.99500       11.97100
C         25.10900       33.08400       10.51500
C         23.17000       33.00500       12.10400
N         25.46900       32.62900       14.86200
C         25.04200       32.88500       16.22500
C         23.94400       33.94000       16.25000
O         24.00600       34.92900       15.52400
C         26.22200       33.36400       17.08500
O         27.24900       32.36800       17.07100
C         25.77700       33.62000       18.51800
N         22.87400       33.64700       16.97800
C         21.83200       34.63100       17.23400
C         21.77600       34.92700       18.72800
O         22.29600       34.15300       19.54000
C         20.46200       34.12700       16.75200
C         20.01600       32.91900       17.58100
C         20.54300       33.74800       15.28100
C         18.70700       32.32000       17.12900
N         21.37800       36.15200       19.04900
C         21.08900       36.52500       20.42400
C         19.60900       36.80900       20.57100
O         19.04300       37.60500       19.81800
C         21.89300       37.76200       20.82500
C         22.04100       37.93100       22.32900
C         21.11500       39.00500       22.87300
C         20.02100       38.41000       23.74900
N         18.82800       39.29500       23.84200
N         18.96300       36.07200       21.46900
C         17.52000       36.16700       21.62700
C         17.14000       35.81300       23.05600
O         17.67700       34.87200       23.62600
C         16.78100       35.23600       20.65000
C         15.26600       35.40100       20.81600
C         17.18400       33.78500       20.87700
C         14.46100       34.63400       19.79000
N         16.26800       36.61900       23.64900
C         15.80800       36.37700       25.01400
C         16.94700       36.26300       26.01100
O         16.85300       35.52000       26.98500
N         18.03100       36.98900       25.76500
C         19.18700       36.96400       26.65400
C         20.06800       35.74200       26.45100
O         21.05900       35.56400       27.15700
N         19.72500       34.92000       25.46100
C         20.43500       33.67100       25.20900
C         21.22400       33.76000       23.89600
O         20.84700       34.50500       22.99800
C         19.43900       32.51000       25.13900
C         18.77000       32.16800       26.46400
C         17.74100       31.06100       26.32500
O         18.07600       29.92200       25.99200
N         16.47500       31.40300       26.52700
N         22.36400       33.07400       23.83200
C         23.05500       32.83900       22.56300
C         22.71400       31.45500       22.02300
O         22.78800       30.46400       22.74600
C         24.57200       32.94300       22.74100
C         25.13400       34.30500       23.15200
C         26.64600       34.22400       23.31200
C         24.76200       35.38000       22.14300
N         22.34700       31.39300       20.74600
C         21.99800       30.12800       20.11200
C         22.54400       30.09800       18.69200
O         22.82900       31.14100       18.11700
C         20.48300       29.94100       20.08000
C         19.83900       29.85300       21.45600
C         18.36600       29.49500       21.36000
C         17.81300       29.07500       22.71700
N         18.00700       27.62300       22.98900
N         22.80100       28.89700       18.18800
C         23.20900       28.71900       16.79900
C         21.97500       28.42300       15.95700
O         21.09000       27.67900       16.37600
C         24.20700       27.56300       16.69000
C         24.73200       27.31300       15.28500
C         25.78000       26.21000       15.23400
O         25.40500       25.02200       15.36400
O         26.96200       26.52700       14.96500
N         21.92600       28.97400       14.75200
C         20.76700       28.77600       13.90500
C         21.16100       28.81200       12.44500
O         22.16900       29.40900       12.07400
C         19.70600       29.82900       14.19400
N         20.27300       28.28000       11.61900
C         20.53800       28.04900       10.21100
C         19.82900       29.11600        9.37700
O         18.63400       29.34700        9.54800
C         20.01700       26.65500        9.85600
C         20.18100       26.13300        8.43900
C         21.65000       25.90300        8.10300
C         19.38400       24.84000        8.31200
N         20.57900       29.84100        8.54900
C         19.97500       30.85300        7.67900
C         19.28900       30.17400        6.50100
O         19.94000       29.50500        5.69900
C         21.03400       31.81900        7.14200
C         21.88200       32.58000        8.16400
C         22.86300       33.48400        7.43700
C         21.00800       33.38000        9.11800
N         17.96500       30.27100        6.45000
C         17.17500       29.40300        5.58600
C         16.26600       30.21500        4.67200
O         15.16500       30.60700        5.06600
C         16.33500       28.45300        6.43600
C         15.80200       27.27700        5.64600
O         15.76300       27.35400        4.40200
O         15.48600       26.24700        6.27900
N         16.71300       30.42500        3.43800
C         15.96300       31.22200        2.46400
C         14.64600       30.55500        2.07600
O         13.72200       31.22200        1.60500
C         16.78800       31.44600        1.18200
O         17.24000       30.18500        0.67100
C         17.99000       32.32700        1.46400
N         14.53600       29.26200        2.34700
C         13.34800       28.50400        1.97200
C         12.27900       28.49900        3.04500
O         11.18900       27.95700        2.84300
N         12.60400       29.03700        4.21600
C         11.67700       28.99800        5.34500
C         10.87900       30.29800        5.43200
O         11.45600       31.38400        5.46900
C         12.43500       28.75300        6.64400
N          9.55100       30.18300        5.49300
C          8.69300       31.35600        5.67000
C          8.98700       31.99700        7.01900
O          8.93600       33.22400        7.16800
C          7.22100       30.93900        5.64700
C          6.70700       30.64400        4.24900
O          7.43300       30.88100        3.25400
O          5.53400       30.22100        4.14800
N          9.13100       31.13600        8.02300
C          9.08800       31.52400        9.42600
C         10.42100       31.19500       10.08900
O         11.15400       30.31000        9.63900
C          7.97200       30.76600       10.16200
C          6.59500       31.01400        9.56500
O          6.30300       32.17200        9.20000
O          5.77800       30.06800        9.54500
N         10.66200       31.84200       11.22000
C         11.77100       31.51700       12.10600
C         11.28800       30.61000       13.23100
O         10.28700       30.90700       13.88000
C         12.34600       32.81300       12.70600
O         12.93300       33.59500       11.65800
C         13.38200       32.52600       13.76900
N         11.93900       29.46200       13.39200
C         11.52000       28.48000       14.39000
C         12.70800       28.00600       15.20400
O         13.70700       27.55000       14.65200
C         10.85200       27.24600       13.75300
C         10.12200       26.43000       14.81800
C          9.90300       27.66800       12.64800
N         12.56300       28.07200       16.52200
C         13.62100       27.69500       17.43900
C         13.16000       26.58700       18.38300
O         11.96400       26.44700       18.65900
C         14.05600       28.90800       18.26200
C         14.53900       30.13600       17.49000
C         14.95700       31.22400       18.46800
C         15.67600       29.78500       16.54100
N         14.11700       25.78200       18.84100
C         13.85200       24.75500       19.84000
C         13.29400       25.38100       21.10900
O         13.44000       26.58200       21.33500
C         15.13100       23.98700       20.17700
C         15.87300       23.43400       18.97600
C         17.23100       22.87200       19.35200
O         17.79700       23.32300       20.37400
O         17.74300       22.01200       18.60700
N         12.73100       24.54300       21.97400
C         12.02500       25.02900       23.15400
C         12.86700       26.00100       23.96800
O         14.05300       25.76900       24.23500
C         11.57100       23.86800       24.04300
C         10.33100       23.15400       23.54700
C          9.08000       24.01800       23.59700
O          9.09300       25.07800       24.26000
O          8.09100       23.66000       22.92400
N         12.25200       27.13000       24.28500
C         12.86900       28.17800       25.08500
C         11.75500       29.06900       25.60300
O         10.61800       28.99800       25.12700
C         13.82700       29.01100       24.23400
C         13.12300       29.88300       23.21100
S         14.26200       30.94200       22.29700
C         14.80100       32.04200       23.60200
N         12.06800       29.85500       26.62800
C         11.24900       32.15200       26.40800
O         12.35500       32.63300       26.15500
C         11.12500       30.82800       27.15300
C         11.36700       31.04400       28.64900
O         10.39700       31.92300       29.18900
C         11.13500       30.83500       27.16300
C         11.42500       31.06700       28.64700
O         11.02300       29.95000       29.41100
N         10.10400       32.75500       26.09700
C         10.05700       34.13400       25.62300
C          8.96200       34.89500       26.36700
O          7.96900       34.30600       26.78400
C          9.78500       34.17000       24.11500
C         10.94300       33.72200       23.22300
C         10.49800       33.61700       21.77000
C         12.12600       34.66300       23.35800
N          9.13400       36.21500       26.51600
C          8.14900       37.03100       27.21800
C          6.93700       37.34600       26.34600
O          7.04400       37.38500       25.11700
C          8.92500       38.30900       27.53400
C          9.92500       38.41900       26.43200
C         10.28300       37.00800       26.04300
N          5.81300       37.64900       26.98300
C          4.68500       38.23600       26.28900
C          3.70700       37.19600       25.78600
O          3.73700       36.03800       26.21900
N          2.75900       37.65800       24.97800
C          1.63800       36.84100       24.53500
C          2.09800       35.87800       23.45200
O          3.02700       36.17600       22.70200
C          0.52400       37.73400       23.98400
C          0.07100       38.81600       24.95100
C         -1.11800       39.59800       24.40900
N         -2.29900       38.75900       24.22100
C         -2.66200       37.77900       25.04400
N         -1.93000       37.49900       26.11400
N         -3.74700       37.06000       24.78400
N          1.41100       34.74600       23.34100
C          1.61800       33.84000       22.21300
C          0.31900       33.15500       21.79400
O         -0.69000       33.20500       22.50700
C          2.67500       32.79300       22.56600
C          2.28800       31.92200       23.71100
C          2.58100       32.12700       25.02900
C          1.57300       30.68500       23.64500
N          2.11700       31.07900       25.78400
C          1.47900       30.18800       24.96100
C          1.04200       29.92500       22.59800
C          0.82300       28.99800       25.26400
C          0.39800       28.74200       22.90000
C          0.27200       28.30100       24.22500
N          0.32000       32.60600       20.58500
C         -0.79300       31.79200       20.11100
C         -0.25500       30.59000       19.35000
O          0.87500       30.62200       18.86200
C         -1.71300       32.61900       19.21300
C         -1.02500       33.17600       17.98300
C         -1.89900       34.17600       17.24800
C         -1.11500       34.85800       16.14400
N         -1.95400       35.79900       15.35000
N         -1.00700       29.47800       19.35400
C         -0.47100       28.27400       18.73000
C         -0.50800       28.36600       17.21700
O         -1.33600       29.08200       16.66200
C         -1.41100       27.16600       19.21900
C         -2.66700       27.86900       19.61400
C         -2.23400       29.20900       20.12300
N          0.35100       27.58700       16.56600
C          0.43800       27.55900       15.11500
C          0.90300       26.17400       14.70500
O          1.62000       25.51800       15.45800
C          1.43400       28.61800       14.61700
C          1.36900       28.87800       13.12100
C          2.48600       29.80600       12.66400
C          2.42200       30.06300       11.16700
N          1.45100       31.13700       10.83800
N          0.37900       25.67200       13.59200
C          0.95000       24.49300       12.95800
C          1.79200       24.91400       11.76700
O          1.33500       25.67200       10.91400
C         -0.15900       23.54600       12.49800
C         -0.87900       22.87000       13.64800
S          0.04700       21.44600       14.25800
C         -0.53700       20.18500       13.13000
N          3.02400       24.42700       11.71300
C          3.87700       24.68300       10.56600
C          4.36900       23.39700        9.92700
O          4.54300       22.37600       10.59500
C          5.09000       25.56500       10.92200
C          5.88300       24.95500       12.07300
C          4.64000       26.97800       11.26100
C          7.23500       25.60400       12.27600
N          4.49100       23.44100        8.60700
C          4.75800       22.25800        7.81700
C          6.11000       22.31800        7.13900
O          6.53100       23.36800        6.66200
C          6.11900       22.32000        7.15700
O          6.66600       23.40000        6.94200
N          6.72300       21.15300        6.97900
C          7.98700       21.04000        6.27000
C          8.05200       19.63800        5.71600
O          7.04000       18.93700        5.66600
N          9.23000       19.21800        5.27900
C          9.41000       17.83000        4.91500
C          9.09500       16.96300        6.13500
O          9.44000       17.32100        7.26600
C         10.83800       17.55900        4.40400
C         10.93800       17.90600        2.91200
C         11.21500       16.10300        4.62300
C         10.80800       19.38600        2.62500
N          8.23600       15.97000        5.93100
C          7.85200       15.06300        7.00900
C          6.51900       15.38200        7.66900
O          6.02800       14.60000        8.47600
N          5.98000       16.56700        7.39800
C          4.65800       16.94700        7.90500
C          4.72900       18.14700        8.82900
O          5.60100       19.00100        8.67300
N          3.79900       18.22400        9.77900
C          3.60800       19.44900       10.56800
C          4.04400       19.25400       12.01700
O          3.90500       18.16300       12.58900
C          2.13800       19.88200       10.53800
C          1.68900       20.43400        9.21700
C          1.40400       19.58400        8.15800
C          1.48000       21.79400        9.05300
C          0.97500       20.08900        6.94800
C          1.09900       22.31000        7.83100
C          0.85900       21.45700        6.77100
N          4.43600       20.35200       12.64800
C          4.56500       20.40300       14.10000
C          3.81600       21.60400       14.66600
O          3.59700       22.60700       13.97800
C          6.04300       20.48300       14.54600
C          6.74900       21.65400       13.85400
C          6.75100       19.16900       14.26100
C          8.12100       21.97000       14.42300
N          3.45300       21.49600       15.93600
C          2.76300       22.56100       16.63900
C          3.78200       23.39700       17.39200
O          4.63500       22.86300       18.10800
C          1.74800       21.98000       17.62500
C          0.95200       23.02900       18.38200
C          0.06200       22.38600       19.43600
C         -0.64600       23.43100       20.28000
N         -1.41500       22.80000       21.38900
N          3.68300       24.70600       17.22000
C          4.61900       25.64100       17.82600
C          3.85400       26.78700       18.48800
O          2.64800       26.95000       18.26100
C          5.59500       26.20500       16.76900
C          6.38800       25.07700       16.11400
C          4.84100       27.02400       15.73800
N          4.53000       27.51700       19.37200
C          3.99000       28.75000       19.93200
C          4.52400       29.95500       19.16400
O          5.72300       30.06200       18.90600
C          4.35800       28.87500       21.41800
C          4.04300       27.64000       22.24600
C          4.21700       27.87600       23.74200
N          5.46900       28.54500       24.09300
C          6.62100       27.92500       24.33800
N          6.73800       26.61900       24.14600
N          7.68400       28.63300       24.70800
N          3.62700       30.85000       18.77400
C          4.01000       32.02600       17.99900
C          4.10000       33.24900       18.90200
O          3.09500       33.68900       19.46800
C          3.00300       32.28100       16.88000
C          3.20500       33.59400       16.14700
C          2.15500       33.84200       15.07500
O          1.56700       32.90600       14.53300
N          1.96500       35.10700       14.71800
N          5.31000       33.79500       19.00900
C          5.55700       35.05800       19.71700
C          5.87400       36.16100       18.71900
O          6.75600       35.99700       17.87100
C          6.74500       34.90200       20.66700
C          6.52900       33.88900       21.76100
C          6.85800       32.54900       21.56800
C          6.17200       34.29400       23.04000
C          6.72800       31.63000       22.59000
C          6.03700       33.38400       24.06400
C          6.31900       32.05400       23.83900
O          6.14900       31.14300       24.85700
N          5.19100       37.29800       18.85100
C          5.38700       38.42000       17.93600
C          6.24000       39.53000       18.56400
O          6.36800       39.62000       19.78600
C          4.03300       38.99800       17.50000
C          3.15200       37.97000       16.80600
O          3.67400       37.20800       15.97000
O          1.95000       37.88600       17.14800
N          6.82600       40.36400       17.71200
C          7.60500       41.52200       18.16200
C          8.68900       41.11400       19.15000
O          8.85600       41.73400       20.20600
C          6.68500       42.56500       18.79500
C          5.57500       43.02200       17.86500
C          4.72700       44.11700       18.47300
O          4.70700       45.24400       17.98000
N          4.11100       43.82300       19.61200
N          9.47500       40.11700       18.76000
C         10.61200       39.67000       19.55600
C         11.91600       40.23600       18.99500
O         12.24300       40.02500       17.82100
C         10.71000       38.12900       19.56800
C          9.45500       37.50600       20.17800
C         11.95600       37.67300       20.31000
C          9.18500       37.91700       21.60800
N         12.69900       40.91500       19.84700
C         13.98800       41.42300       19.39500
C         15.01000       40.30700       19.25700
O         15.02600       39.37700       20.06500
C         14.41200       42.39200       20.50700
C         13.20400       42.62100       21.34000
C         12.34400       41.40700       21.18500
N         15.76100       40.33300       18.16300
C         16.77600       39.32800       17.90200
C         17.98800       40.01200       17.27300
O         17.86900       41.08300       16.67800
C         16.23000       38.24100       16.94900
C         17.19800       37.05300       16.86700
C         15.96200       38.83200       15.56900
C         16.60200       35.82100       16.21500
N         19.17100       39.47000       17.52700
C         20.37600       39.94200       16.86200
C         21.05300       38.79600       16.12800
O         21.15500       37.69200       16.65500
C         21.33600       40.55800       17.88400
C         22.34200       41.52200       17.28500
C         23.39100       41.95400       18.28800
O         23.01200       42.30200       19.42500
O         24.59300       41.82500       17.98000
N         21.35200       39.02100       14.85100
C         21.87700       37.97000       13.97400
C         23.13600       38.48200       13.27700
O         23.08200       39.46700       12.55000
C         20.84700       37.57700       12.89300
C         19.55100       37.07700       13.53400
C         21.41200       36.51300       11.96300
C         18.35600       37.12600       12.60700
N         24.29100       37.94700       13.65900
C         25.56400       38.45700       13.15000
C         25.73600       39.94200       13.42000
O         26.16200       40.69200       12.54000
C         25.65700       38.23000       11.64400
S         26.17200       36.56700       11.19300
N         25.30900       40.38500       14.59500
C         25.47500       41.77600       14.98500
C         24.46000       42.69400       14.33600
O         24.45900       43.89700       14.58300
N         23.54800       42.11800       13.55800
C         22.45800       42.88400       12.96800
C         21.19300       42.71100       13.79900
O         20.67900       41.59600       13.93600
C         22.19300       42.42400       11.53100
C         23.28900       42.77100       10.57200
N         24.46300       42.05100       10.49200
C         23.36800       43.72600        9.61500
C         25.22700       42.56300        9.54300
N         24.58800       43.58400        9.00000
N         20.69200       43.82200       14.33100
C         19.45700       43.83200       15.10800
C         18.21900       43.81600       14.21800
O         18.19500       44.41200       13.13600
C         19.41500       45.05600       16.02400
C         20.43800       45.00900       17.14400
C         20.27400       46.17200       18.10600
C         21.24500       46.06200       19.27200
N         22.66400       46.07600       18.81700
N         17.21600       43.06200       14.65400
C         15.92900       43.03900       13.99100
C         14.85800       42.67400       15.00000
O         15.16100       42.37300       16.15400
C         15.94200       42.03600       12.85000
N         13.60600       42.84800       14.60000
C         12.48500       42.43000       15.41900
C         11.47000       41.70100       14.55200
O         11.33300       41.99300       13.36500
C         11.82600       43.63600       16.11400
C         10.66300       43.18800       16.99900
C         11.35900       44.65400       15.08700
C         10.40100       44.12100       18.16600
N         10.87000       40.65400       15.10200
C          9.92500       39.86500       14.33100
C          9.28900       38.73400       15.10100
O          9.45600       38.60900       16.31500
N          8.51900       37.93100       14.38100
C          7.82300       36.80400       14.96300
C          8.78700       35.62700       15.07800
O          9.54500       35.34200       14.15300
C          6.61700       36.41600       14.08800
O          5.65100       37.47000       14.12200
C          5.97300       35.14200       14.57800
N          8.82200       35.02000       16.25700
C          9.62100       33.82300       16.48600
C          8.72200       32.68100       16.93900
O          7.88200       32.84800       17.83800
C         10.70900       34.06600       17.54900
C         11.47800       32.78200       17.83600
C         11.65100       35.16600       17.08700
N          8.82700       31.55600       16.24400
C          8.07400       30.36600       16.60000
C          8.94000       29.45800       17.46800
O         10.14000       29.32300       17.23300
C          7.62300       29.63000       15.33200
C          6.90300       30.47700       14.28200
C          6.50800       29.62200       13.08800
C          5.69200       31.18600       14.87300
N          8.33300       28.85800       18.48400
C          9.05900       28.00100       19.41700
C          8.35900       26.65500       19.57700
O          7.15100       26.60000       19.78800
C          9.16000       28.65900       20.80200
C          9.89700       27.74100       21.76300
C          9.84000       30.02000       20.70000
N          9.12200       25.57300       19.46100
C          8.55700       24.22500       19.52800
C          9.57200       23.15400       19.16900
O         10.77600       23.42600       19.10300
N          9.08600       21.93600       18.89500
C          9.93900       20.76000       18.72700
C         10.49200       20.64900       17.31100
O         10.41900       19.58400       16.69200
C          8.99100       19.59600       19.03500
C          7.64900       20.10700       18.64500
C          7.65800       21.57700       18.96200
N         11.13100       21.71700       16.84000
C         11.91000       21.65300       15.61600
C         13.22600       20.92700       15.86500
O         13.88600       21.14400       16.88100
C         12.19400       23.05700       15.04100
O         13.01100       22.93900       13.87400
C         12.88900       23.94600       16.06800
N         13.60400       20.04100       14.93900
C         14.87200       19.32800       15.04900
C         16.07600       20.26700       15.04900
O         17.15100       19.88900       15.51500
C         14.88800       18.43400       13.80300
C         13.47300       18.34900       13.35000
C         12.82400       19.63000       13.75900
N         15.93400       21.43500       14.43300
C         16.55500       23.82400       14.24600
O         15.43900       24.08800       13.78600
C         17.03100       22.38500       14.39900
C         18.05200       22.03200       13.29700
O         19.30800       22.66200       13.58100
C         17.55200       22.46600       11.92100
C         17.05000       22.37700       14.29100
C         17.88600       22.08600       13.02100
O         17.92500       23.24700       12.17700
C         17.30500       20.91700       12.24100
N         17.34800       24.74100       14.79400
C         16.98900       26.15800       14.81300
C         17.11000       26.74500       13.41100
O         18.14500       26.60300       12.75400
C         17.90300       26.94200       15.75500
C         17.74200       26.54000       17.21100
O         16.66700       26.12300       17.64000
N         18.79600       26.74400       17.99500
N         16.05800       27.41900       12.96600
C         15.99700       27.95200       11.60900
C         15.65400       29.43700       11.65400
O         14.70200       29.83300       12.32800
C         14.92200       27.20800       10.78100
C         14.69500       27.89100        9.44100
C         15.32200       25.75300       10.58300
N         16.48400       30.26300       11.01700
C         16.13300       31.65600       10.74600
C         15.50500       31.79300        9.36600
O         16.14500       31.50400        8.34700
C         17.35700       32.58600       10.79900
C         18.12700       32.41400       12.11300
C         16.92300       34.02900       10.60600
C         17.27400       32.46700       13.35800
N         14.23600       32.18600        9.33700
C         13.48700       32.25500        8.09300
C         13.40900       33.65200        7.50700
O         14.01200       34.59900        8.02100
N         12.67600       33.77200        6.40400
C         12.68600       34.98600        5.60200
C         12.18800       36.19500        6.38500
O         12.54500       37.33800        6.07100
C         11.82900       34.79400        4.35000
C         12.39400       33.79100        3.36400
C         11.63500       33.80900        2.05100
N         10.25700       33.35300        2.21500
C          9.19800       34.15500        2.26300
N          9.33900       35.47000        2.12200
N          7.99500       33.64500        2.47800
N         11.28500       35.96800        7.33100
C         11.76100       37.88100        8.82600
O         11.59200       39.07700        9.04800
C         10.70200       37.08100        8.07300
C          9.60700       36.60500        9.03100
C         10.16000       35.86800       10.23100
O         10.92800       34.92500       10.07900
N          9.88300       36.38300       11.42600
C         10.69800       37.05600        8.10400
C          9.69800       36.49800        9.11600
C          9.27500       37.52600       10.14200
O          8.44700       38.39500        9.86400
N          9.83400       37.42600       11.34200
N         12.86800       37.23900        9.17900
C         13.98500       37.95600        9.79500
C         15.15200       38.18400        8.84400
O         15.85700       39.18200        8.96300
C         14.46200       37.24500       11.06300
C         13.42300       37.22800       12.18300
C         13.87900       36.35400       13.33900
C         13.14900       38.64300       12.66000
N         15.31000       37.32300        7.84200
C         16.39400       37.50800        6.87700
C         16.24000       38.80900        6.08700
O         17.23300       39.48800        5.79500
C         16.47600       36.31700        5.92100
C         16.86200       34.98300        6.56200
C         16.63500       33.86100        5.56200
C         18.30900       34.99100        7.03300
N         14.99900       39.20000        5.81100
C         14.74600       40.45500        5.10400
C         15.27800       41.63600        5.90900
O         15.84800       42.57700        5.34800
C         13.24600       40.67300        4.82400
O         12.50200       40.62100        6.04600
C         12.71200       39.63900        3.85200
N         15.13100       41.56400        7.22900
C         15.36900       42.71800        8.08900
C         16.85900       43.01100        8.22600
O         17.25200       44.13900        8.51600
C         14.75100       42.49200        9.47500
C         13.24400       42.30800        9.45900
C         12.51100       43.52800        8.94200
O         12.31600       44.50100        9.67000
N         12.06700       43.46600        7.69600
N         17.68500       41.98000        8.09300
C         19.13400       42.17000        8.09700
C         19.70400       42.31600        6.68700
O         20.91600       42.47900        6.50900
C         19.84600       41.01400        8.82400
C         19.72700       39.71200        8.02700
C         19.28400       40.84200       10.22600
C         20.44300       38.54400        8.67700
N         18.81500       42.44100        5.70900
C         19.21200       42.78300        4.35400
C         19.87300       41.62700        3.63500
O         20.76200       41.82500        2.79800
N         19.46400       40.41100        3.98300
C         20.06300       39.20700        3.41300
C         19.49700       38.90000        2.02700
O         18.27900       38.90400        1.82700
C         19.85000       38.02300        4.35600
S         20.68400       36.50300        3.84400
N         20.39200       38.68600        1.06200
C         19.99500       38.31000       -0.29300
C         20.73600       37.06400       -0.77500
O         21.84300       36.75700       -0.31000
C         20.23900       39.45100       -1.30500
O         21.63600       39.76500       -1.35900
C         19.44000       40.68800       -0.92700
N         20.12400       36.38100       -1.73800
C         20.78200       35.34200       -2.51900
C         21.40300       35.93900       -3.77200
O         20.77500       36.74100       -4.46300
C         19.75700       34.29400       -2.95200
C         19.29800       33.32700       -1.87700
C         18.01700       32.62800       -2.31200
C         20.40100       32.31600       -1.59100
N         22.64000       35.56200       -4.05500
C         23.33900       36.10600       -5.20400
C         24.03300       35.02100       -6.00700
O         24.72000       34.16600       -5.45000
C         24.34700       37.15800       -4.75100
C         23.68300       38.33300       -4.06400
O         23.28900       38.23500       -2.89600
N         23.34200       39.34500       -4.84600
N         23.87400       35.08400       -7.32500
C         24.63300       34.22400       -8.22800
C         24.64300       34.82800       -9.62700
O         24.24800       35.98000       -9.80400
C         24.05500       32.80100       -8.25200
C         22.62100       32.72800       -8.70700
C         21.58700       32.93300       -7.80800
C         22.30900       32.25100       -9.97100
C         20.26700       32.78800       -8.20000
C         20.99200       32.13200      -10.38000
C         19.96800       32.41900       -9.49800
O         25.11100       34.21500      -10.58800
N         21.68300       36.89800      -10.70500
C         20.72000       37.80500      -10.09200
C         20.97600       38.01600       -8.60600
O         21.79200       37.31200       -8.00700
C         19.37500       37.09700      -10.30100
C         19.71500       35.66800      -10.54700
C         21.04100       35.68800      -11.24300
N         20.37400       39.06600       -8.05800
C         20.26600       39.22700       -6.61700
C         18.81300       39.08800       -6.19000
O         17.93500       39.76900       -6.71800
C         20.79900       40.59300       -6.19100
C         20.46900       40.96200       -4.75300
C         21.34200       42.08100       -4.23100
O         22.46500       41.85100       -3.78100
N         20.85000       43.30800       -4.33300
N         18.54100       38.09900       -5.34800
C         17.17000       37.77000       -4.98800
C         16.93600       38.14200       -3.53200
O         17.63800       37.66800       -2.64200
C         16.87700       36.27000       -5.18200
C         17.05100       35.88100       -6.65500
C         15.46200       35.93800       -4.73500
C         17.04800       34.38900       -6.89300
N         16.02100       39.07900       -3.31600
C         15.59600       39.44200       -1.97100
C         14.53600       38.46500       -1.46900
O         14.05700       37.61100       -2.21300
C         15.00700       40.86300       -1.95400
O         13.87000       40.92200       -2.82100
C         16.04700       41.87800       -2.41700
N         14.19700       38.56300       -0.19000
C         13.49300       37.47900        0.47500
C         12.15700       37.92700        1.05900
O         11.57000       37.23500        1.88900
C         14.37800       36.87300        1.56500
C         15.68400       36.29000        1.02000
C         16.60100       35.87700        2.16400
C         15.39800       35.11700        0.09100
N         11.62000       39.01900        0.52400
C         10.30400       39.49400        0.92000
C          9.20700       38.55000        0.44400
O          8.17100       38.41700        1.10000
C         10.05600       40.89700        0.36700
C         11.10500       41.87200        0.75700
C         12.19100       42.23200        0.02500
C         11.27400       42.47600        2.04700
N         12.98200       43.08700        0.74200
C         12.45300       43.24100        1.99400
C         10.50200       42.50500        3.21300
C         12.90000       43.99800        3.07000
C         10.93600       43.27900        4.27400
C         12.14200       43.98600        4.20600
N          9.48200       37.84200       -0.65200
C          8.64300       36.73400       -1.10400
C          9.47500       35.44700       -1.13400
O         10.70000       35.49600       -1.12300
C          8.09200       37.01900       -2.50400
C          7.55700       38.42800       -2.69300
C          7.42600       38.81100       -4.15800
O          7.85800       38.07400       -5.04800
N          6.83600       39.97300       -4.41500
N          8.80800       34.30800       -1.27700
C          9.51200       33.04400       -1.48300
C         10.42400       33.12300       -2.70500
O         10.00600       33.58600       -3.76000
C          8.51000       31.90000       -1.66300
C          7.82100       31.49100       -0.37900
C          6.95500       30.26000       -0.57200
N          6.24100       29.94100        0.65700
C          5.28500       29.02500        0.75400
N          4.88000       28.37000       -0.32600
N          4.67800       28.82400        1.91600
N         11.64900       32.59300       -2.58300
C         12.60000       32.63900       -3.69000
C         12.36200       31.52300       -4.69600
O         13.10800       30.53700       -4.72300
C         13.95800       32.49000       -3.00300
C         13.66900       31.78500       -1.72100
C         12.29300       32.23700       -1.30400
N         11.23200       31.62000       -5.38700
C         10.79000       30.60200       -6.33300
C         11.34200       30.92500       -7.70600
O         11.36800       32.09100       -8.11100
C          9.26000       30.56000       -6.39200
C          8.54300       30.10100       -5.12400
C          7.04400       30.33800       -5.22300
C          8.82600       28.63600       -4.84100
N         11.96800       29.92800       -8.32300
C         12.57200       30.09000       -9.63200
C         12.10900       28.96600      -10.54700
O         11.55900       27.95800      -10.10000
C         14.11200       30.07400       -9.56100
C         14.62100       31.21000       -8.68500
C         14.61100       28.73200       -9.05600
N         12.24900       29.18200      -11.84400
C         11.99800       28.12100      -12.79700
C         13.24300       27.26900      -12.98900
O         14.35300       27.79100      -13.09300
C         11.53800       28.69500      -14.14200
O         10.35200       29.47000      -13.93500
C         11.24900       27.59100      -15.11700
N         13.05800       25.95700      -12.88800
C         14.09200       24.98900      -13.22400
C         13.67300       24.20900      -14.46600
O         12.49500       24.18800      -14.83300
C         14.34200       23.99800      -12.06400
C         13.08400       23.16900      -11.77600
C         14.77100       24.75300      -10.81600
C         13.29300       22.05900      -10.76600
N         14.64500       23.61000      -15.13700
C         14.34800       22.65900      -16.18500
C         15.03000       21.32400      -15.93100
O         16.24700       21.25400      -15.71600
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Cl        15.55900       45.13500        0.51200
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O         23.59400       44.55200       -6.42300
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O         20.08500       46.05200       -7.90400
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O          9.57900        4.70400       -9.03900
O          9.36000        6.16700       -4.19600
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O          4.77200       18.05100       -2.38600
O          2.37000       21.75300       -0.85300
O         26.82800       19.00900       -6.23000
O         30.53600       28.00100       -5.90700
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O         30.52800       32.11300       -5.80200
O         28.56200       33.44900       -8.64000
O         28.60900       40.59400        0.25200
O         24.74400       42.51100       -0.16500
O         27.60400       42.12700       -1.49000
O         27.22900       42.16000        1.38500
O         26.35500       44.84400        3.24000
O         25.30300       43.03500        1.13800
O          4.09400        2.05100        8.35100
O          2.00600        7.88300       -8.16800
O          3.15100        3.53400        6.30100
O          6.41800        3.60400        8.76200
