0 mol 16 unq 0 iso 0 dist 8.33883 5.45161 6.31718 9.79958 10.8455 7.63133 8.63347 4.65873 8.43054 9.81307 6.43294 10.9143 5.32694 5.46498 11.1513 5.38671 5.05803 6.92781 12.5273 6.57331 10.7015 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.33883 5.45161 6.31718 9.79958 10.8455 7.63133 8.63347 4.65873 8.43054 9.81307 11.6041 16.4009 10.4155 8.71745 16.7405 5.38671 5.05803 6.92781 12.5273 6.57331 16.241 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 9.68526 8.31041 9.38498 7.26679 15.7123 9.96396 11.4233 17.4121 9.73086 5.70116 11.2674 20.257 14.9342 8.70481 12.8207 5.44275 10.2049 5.4148 6.19304 7.4369 13.3558 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 9.72442 11.7069 9.38498 10.1503 15.7123 9.96396 14.3455 17.4121 9.73086 5.70116 14.5102 20.257 14.9342 8.70481 12.8207 8.0624 10.2049 5.4148 6.19304 7.4369 13.3558 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 9.30776 8.31041 9.75218 7.26679 12.016 9.96396 11.4233 14.844 9.73086 5.70116 11.2674 10.1207 14.9342 8.70481 12.8207 5.44275 11.6369 5.4148 6.19304 7.4369 13.3558 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 9.4473 15.4455 8.22656 15.6584 6.65743 7.24514 14.0779 4.88025 8.26547 5.03174 14.0506 10.0372 6.761 9.91388 12.4934 11.1611 6.82262 5.61668 10.2995 9.05342 8.28069 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 9.4473 15.4455 8.22656 15.6584 6.65743 7.24514 14.0779 4.88025 8.26547 5.03174 19.97 13.4163 7.6656 9.52634 13.5471 11.1611 6.82262 5.61668 10.2995 9.05342 12.4308 numMergedOcc 0
7 mol 152 unq 0 iso 0 dist 9.10619 13.9994 6.70283 13.6844 5.42328 5.87555 10.3465 5.39112 6.70693 4.94983 14.2552 7.16148 5.49936 8.87437 10.4895 9.66339 8.56324 7.65448 10.399 6.59889 10.6875 numMergedOcc 0
8 mol 152 unq 1 iso 0 dist 9.10619 13.9994 6.70283 15.1988 6.4896 8.67331 10.3465 5.39112 6.70693 9.67475 14.2552 7.16148 5.49936 8.05741 10.4895 9.66339 8.56324 7.65448 14.1618 6.59889 10.6875 numMergedOcc 0
9 mol 152 unq 2 iso 0 dist 9.74498 10.7816 8.67331 12.7397 5.54906 5.87555 16.2421 9.67475 6.70693 4.94983 7.26476 8.05741 5.49936 8.87437 10.4895 17.605 14.1618 7.65448 10.399 6.59889 10.6875 numMergedOcc 0
10 mol 152 unq 3 iso 0 dist 9.74498 10.7816 8.67331 13.0082 6.4896 6.70283 16.2421 9.67475 6.70693 5.39112 7.26476 8.05741 5.49936 7.16148 10.4895 17.605 14.1618 7.65448 8.56324 6.59889 10.6875 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 7.44191 9.60754 8.03334 18.07 13.2049 9.1374 11.3022 6.50233 9.76212 12.9532 15.8715 10.7062 8.88798 5.98885 13.2783 12.7057 10.9639 6.01247 9.94371 8.59874 12.6324 numMergedOcc 0
12 mol 181 unq 1 iso 0 dist 7.44191 9.60754 8.03334 18.07 13.2049 9.1374 11.3022 6.50233 9.76212 12.9532 18.9731 14.9794 12.1628 9.15386 18.2853 12.7057 10.9639 6.01247 9.94371 8.59874 16.5106 numMergedOcc 0
13 mol 181 unq 2 iso 0 dist 6.00053 11.1879 8.03334 16.1735 13.2049 9.1374 12.4544 6.50233 9.76212 12.9532 11.6133 10.7062 8.88798 5.98885 13.2783 15.8999 10.9639 6.01247 9.94371 8.59874 12.6324 numMergedOcc 0
14 mol 181 unq 3 iso 0 dist 6.00053 11.1879 8.03334 16.1735 13.2049 9.1374 12.4544 6.50233 9.76212 12.9532 14.2744 14.9794 12.1628 9.15386 18.2853 15.8999 10.9639 6.01247 9.94371 8.59874 16.5106 numMergedOcc 0
15 mol 224 unq 0 iso 0 dist 9.33771 4.91322 6.57273 7.39839 5.0744 6.60589 11.6785 7.05804 8.79428 5.76843 7.65225 10.103 6.77699 6.65832 6.99769 12.979 5.78342 8.49799 9.16166 6.8692 11.328 numMergedOcc 0
16 mol 224 unq 1 iso 0 dist 9.33771 4.91322 6.57273 7.39839 5.0744 6.60589 11.6785 7.05804 8.79428 5.76843 12.979 5.78342 8.49799 9.16166 6.8692 7.65225 10.103 6.77699 6.65832 6.99769 11.328 numMergedOcc 0
17 mol 224 unq 2 iso 0 dist 9.33771 12.979 5.78342 7.39839 5.0744 9.16166 11.6785 7.05804 6.8692 5.76843 7.65225 10.103 11.328 6.65832 6.99769 4.91322 6.57273 8.49799 6.60589 8.79428 6.77699 numMergedOcc 0
18 mol 224 unq 3 iso 0 dist 9.33771 12.979 5.78342 7.39839 5.0744 9.16166 11.6785 7.05804 6.8692 5.76843 4.91322 6.57273 8.49799 6.60589 8.79428 7.65225 10.103 11.328 6.65832 6.99769 6.77699 numMergedOcc 0
19 mol 224 unq 4 iso 0 dist 7.39839 4.91322 6.60589 9.33771 5.0744 6.57273 11.6785 5.76843 8.79428 7.05804 5.41021 9.99123 4.70378 8.95269 13.2325 7.65225 6.65832 6.77699 10.103 6.99769 10.9861 numMergedOcc 0
20 mol 224 unq 5 iso 0 dist 7.39839 4.91322 6.60589 9.33771 5.0744 6.57273 11.6785 5.76843 8.79428 7.05804 5.41021 9.99123 4.70378 8.95269 13.2325 12.979 9.16166 8.49799 5.78342 6.8692 11.5372 numMergedOcc 0
21 mol 224 unq 6 iso 0 dist 7.39839 4.91322 6.60589 9.33771 5.0744 6.57273 11.6785 5.76843 8.79428 7.05804 12.979 9.16166 8.49799 5.78342 6.8692 7.65225 6.65832 6.77699 10.103 6.99769 11.328 numMergedOcc 0
22 mol 224 unq 7 iso 0 dist 7.39839 12.979 9.16166 9.33771 5.0744 5.78342 11.6785 5.76843 6.8692 7.05804 5.41021 9.99123 11.5372 8.95269 13.2325 7.65225 6.65832 11.328 10.103 6.99769 10.9861 numMergedOcc 0
23 mol 224 unq 8 iso 0 dist 7.39839 12.979 9.16166 9.33771 5.0744 5.78342 11.6785 5.76843 6.8692 7.05804 5.41021 9.99123 11.5372 8.95269 13.2325 4.91322 6.60589 8.49799 6.57273 8.79428 4.70378 numMergedOcc 0
24 mol 224 unq 9 iso 0 dist 7.39839 12.979 9.16166 9.33771 5.0744 5.78342 11.6785 5.76843 6.8692 7.05804 4.91322 6.60589 8.49799 6.57273 8.79428 7.65225 6.65832 11.328 10.103 6.99769 6.77699 numMergedOcc 0
25 mol 227 unq 0 iso 0 dist 9.64299 7.69739 7.09863 12.7101 4.39704 7.22101 10.3251 5.83175 5.23634 5.0317 12.6359 10.4905 6.99063 9.34734 10.7855 12.5771 10.8157 5.22356 8.65997 6.91318 7.60506 numMergedOcc 0
26 mol 227 unq 1 iso 0 dist 9.64299 7.69739 7.09863 12.7101 4.39704 7.22101 10.3251 5.83175 5.23634 5.0317 17.6422 11.0431 10.8658 7.56888 11.2661 12.5771 10.8157 5.22356 8.65997 6.91318 9.70012 numMergedOcc 0
27 mol 227 unq 2 iso 0 dist 9.64299 7.69739 7.09863 12.7101 4.39704 7.22101 10.3251 5.83175 5.23634 5.0317 17.9249 10.0334 12.4689 7.55216 12.3663 12.5771 10.8157 5.22356 8.65997 6.91318 12.9332 numMergedOcc 0
28 mol 229 unq 0 iso 0 dist 9.84492 11.9226 8.22528 10.7645 5.57838 7.03423 14.7472 5.70473 7.27993 7.22525 15.5898 13.2905 6.84129 9.06952 11.9869 14.6884 11.3979 5.1556 11.9282 9.51168 10.4478 numMergedOcc 0
29 mol 229 unq 1 iso 0 dist 9.84492 11.9226 8.22528 10.7645 5.57838 7.03423 14.7472 5.70473 7.27993 7.22525 15.5898 13.2905 6.84129 9.06952 11.9869 18.4145 11.7165 7.0298 11.4362 6.95201 10.2557 numMergedOcc 0
30 mol 234 unq 0 iso 0 dist 5.89084 6.16697 9.45496 8.47009 7.82322 6.7625 12.4723 12.4252 7.81215 5.75498 4.74041 6.56247 5.88703 9.36357 11.6391 16.1011 17.458 10.2693 10.701 5.64285 15.2225 numMergedOcc 0
31 mol 234 unq 1 iso 0 dist 8.47009 6.16697 6.7625 5.89084 7.82322 9.45496 12.4723 5.75498 7.81215 12.4252 4.74041 9.36357 5.88703 6.56247 11.6391 16.1011 10.701 10.2693 17.458 5.64285 15.2225 numMergedOcc 0
32 mol 259 unq 0 iso 0 dist 6.77279 5.71237 8.13497 9.58006 4.69778 7.88519 12.5187 12.2293 9.46361 11.6988 9.10984 9.95973 4.86771 7.84554 12.8903 11.8501 10.3935 6.96053 7.46176 6.95511 7.64658 numMergedOcc 0
33 mol 259 unq 1 iso 0 dist 6.77279 5.71237 8.13497 9.58006 4.69778 7.88519 12.5187 12.2293 9.46361 11.6988 13.9868 12.6839 10.4881 9.18903 17.104 11.8501 10.3935 6.96053 7.46176 6.95511 10.5239 numMergedOcc 0
34 mol 259 unq 2 iso 0 dist 9.58006 5.71237 7.88519 6.77279 4.69778 8.13497 12.5187 11.6988 9.46361 12.2293 7.55268 10.5767 10.582 8.53687 18.7675 11.8501 7.46176 6.96053 10.3935 6.95511 15.7715 numMergedOcc 0
