0 mol 17 unq 0 iso 0 dist 9.2031 9.73571 9.26171 6.6967 8.70761 3.47257 numMergedOcc 0
1 mol 17 unq 0 iso 1 dist 9.2031 6.6967 8.70761 9.73571 9.26171 3.47257 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 9.88078 9.00405 8.65986 7.86889 9.39462 3.39356 numMergedOcc 0
3 mol 20 unq 0 iso 1 dist 9.88078 7.86889 9.39462 9.00405 8.65986 3.39356 numMergedOcc 0
4 mol 20 unq 1 iso 0 dist 7.53599 9.00405 9.74724 7.86889 9.13347 3.39356 numMergedOcc 0
5 mol 20 unq 1 iso 1 dist 7.53599 7.86889 9.13347 9.00405 9.74724 3.39356 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 7.82214 3.93024 9.43843 14.3352 7.67463 16.5258 numMergedOcc 0
7 mol 85 unq 0 iso 1 dist 7.82214 14.3352 7.67463 3.93024 9.43843 16.5258 numMergedOcc 0
8 mol 120 unq 0 iso 0 dist 6.21509 8.14689 9.43682 5.74365 8.0564 8.68088 numMergedOcc 0
9 mol 120 unq 0 iso 1 dist 6.21509 5.74365 8.0564 8.14689 9.43682 8.68088 numMergedOcc 0
10 mol 135 unq 0 iso 0 dist 9.71463 11.3917 7.74087 5.11818 8.53533 9.60019 numMergedOcc 0
11 mol 135 unq 0 iso 1 dist 9.71463 5.11818 8.53533 11.3917 7.74087 9.60019 numMergedOcc 0
12 mol 154 unq 0 iso 0 dist 5.7306 15.1721 9.82522 11.1637 8.50773 8.14944 numMergedOcc 0
13 mol 154 unq 0 iso 1 dist 5.7306 11.1637 8.50773 15.1721 9.82522 8.14944 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 6.254 12.0078 9.66947 3.30102 5.69652 10.1158 numMergedOcc 0
15 mol 205 unq 0 iso 1 dist 6.254 3.30102 5.69652 12.0078 9.66947 10.1158 numMergedOcc 0
16 mol 252 unq 0 iso 0 dist 6.38041 11.2711 9.84342 5.45887 8.63893 15.1028 numMergedOcc 0
17 mol 252 unq 0 iso 1 dist 6.38041 5.45887 8.63893 11.2711 9.84342 15.1028 numMergedOcc 0
18 mol 254 unq 0 iso 0 dist 8.10339 6.11814 7.09397 7.43463 6.56151 7.17324 numMergedOcc 0
19 mol 254 unq 0 iso 1 dist 8.10339 7.43463 6.56151 6.11814 7.09397 7.17324 numMergedOcc 0
20 mol 254 unq 1 iso 0 dist 8.10339 6.11814 7.09397 9.17605 8.3417 7.48499 numMergedOcc 0
21 mol 254 unq 1 iso 1 dist 8.10339 9.17605 8.3417 6.11814 7.09397 7.48499 numMergedOcc 0
22 mol 254 unq 1 iso 0 dist 8.10339 7.43463 6.56151 9.17605 8.3417 2.67738 numMergedOcc 0
23 mol 254 unq 1 iso 1 dist 8.10339 9.17605 8.3417 7.43463 6.56151 2.67738 numMergedOcc 0
24 mol 254 unq 2 iso 0 dist 8.81893 9.26315 7.09397 11.49 6.56151 7.17324 numMergedOcc 0
25 mol 254 unq 2 iso 1 dist 8.81893 11.49 6.56151 9.26315 7.09397 7.17324 numMergedOcc 0
26 mol 254 unq 3 iso 0 dist 8.81893 9.26315 7.09397 13.615 8.3417 7.48499 numMergedOcc 0
27 mol 254 unq 3 iso 1 dist 8.81893 13.615 8.3417 9.26315 7.09397 7.48499 numMergedOcc 0
28 mol 254 unq 3 iso 0 dist 8.81893 11.49 6.56151 13.615 8.3417 2.67738 numMergedOcc 0
29 mol 254 unq 3 iso 1 dist 8.81893 13.615 8.3417 11.49 6.56151 2.67738 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 5.15737 12.6856 8.53393 12.0551 7.24165 3.00605 numMergedOcc 0
31 mol 266 unq 0 iso 1 dist 5.15737 12.0551 7.24165 12.6856 8.53393 3.00605 numMergedOcc 0
