0 mol 24 unq 0 iso 0 dist 7.40392 8.23069 5.54419 8.56483 5.59311 8.70827 6.272 11.0056 13.0224 8.67426 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 7.40392 8.59466 7.36323 8.56483 5.59311 9.12854 6.272 11.0056 10.0711 8.67426 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.81637 11.9429 6.62496 14.7768 9.95364 8.80614 14.7146 9.9105 4.59417 6.41008 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 5.50504 7.62418 6.65721 16.6215 13.5488 9.25641 15.2519 15.0824 9.57611 9.83914 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.9795 9.53239 7.97049 5.20528 9.29301 9.82915 6.53227 15.4008 11.9949 8.04853 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 9.9795 9.53239 7.97049 5.20528 9.29301 9.82915 3.93024 12.1279 13.3089 6.46549 numMergedOcc 0
6 mol 113 unq 0 iso 0 dist 9.70016 13.2553 5.86073 17.7779 10.1816 8.8822 19.7472 14.4591 15.3211 7.40338 numMergedOcc 0
7 mol 113 unq 1 iso 0 dist 9.70016 13.2553 5.86073 15.4081 8.42718 9.66219 13.586 9.59585 13.0914 5.35711 numMergedOcc 0
8 mol 113 unq 2 iso 0 dist 9.70016 13.2553 5.86073 15.4081 8.42718 9.66219 19.7472 14.4591 15.3211 6.23759 numMergedOcc 0
9 mol 205 unq 0 iso 0 dist 9.25882 9.40714 7.80463 6.32542 6.09749 6.03688 3.30102 8.26637 6.49049 5.59832 numMergedOcc 0
10 mol 222 unq 0 iso 0 dist 7.88846 6.17038 7.54212 14.1993 13.3447 9.07471 11.4325 14.0871 6.70898 9.30639 numMergedOcc 0
11 mol 232 unq 0 iso 0 dist 7.57253 9.29407 8.27212 11.059 4.9377 9.40808 11.393 8.25985 4.04428 9.78273 numMergedOcc 0
12 mol 249 unq 0 iso 0 dist 7.79723 4.24754 7.57994 9.49843 10.7772 5.48118 14.0781 14.0808 10.3504 8.76518 numMergedOcc 0
13 mol 249 unq 1 iso 0 dist 8.14526 4.24754 6.18582 9.49843 7.04666 5.48118 14.0781 12.9043 10.3504 8.76518 numMergedOcc 0
14 mol 274 unq 0 iso 0 dist 9.13226 10.7073 7.56915 6.74022 5.29529 8.52587 3.47588 11.8311 12.5154 8.09181 numMergedOcc 0
