0 mol 5 unq 0 iso 0 dist 9.89017 8.97274 15.8913 6.86923 15.2534 3.14155 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 8.73111 8.97274 12.7521 6.86923 12.7165 3.14155 numMergedOcc 0
2 mol 28 unq 0 iso 0 dist 7.13468 6.87842 4.11841 8.94643 8.11586 11.4558 numMergedOcc 0
3 mol 28 unq 1 iso 0 dist 9.57803 6.87842 3.43785 8.94643 14.6631 11.4558 numMergedOcc 0
4 mol 30 unq 0 iso 0 dist 8.2071 6.79537 8.79917 5.82731 3.68767 5.36658 numMergedOcc 0
5 mol 33 unq 0 iso 0 dist 6.64845 8.32902 11.7802 5.98867 9.70861 6.92876 numMergedOcc 0
6 mol 41 unq 0 iso 0 dist 9.88728 6.35506 9.70611 7.16598 9.94672 6.26697 numMergedOcc 0
7 mol 41 unq 1 iso 0 dist 9.88728 6.35506 9.70611 7.42476 5.88923 6.02154 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 8.90701 8.21247 9.05723 6.57978 4.2509 5.14161 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 9.68809 8.40389 14.1047 5.87382 9.61655 9.54913 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 8.14817 7.95751 14.9396 5.28634 11.8161 5.83839 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 8.14817 5.39002 13.1743 5.28634 11.8161 3.7404 numMergedOcc 0
12 mol 158 unq 0 iso 0 dist 8.79758 7.68074 3.40919 7.76952 8.89876 7.53461 numMergedOcc 0
13 mol 158 unq 1 iso 0 dist 8.79758 7.68074 3.40919 9.98554 12.9307 13.5303 numMergedOcc 0
14 mol 158 unq 2 iso 0 dist 8.79758 9.1854 9.88034 7.76952 8.89876 15.3696 numMergedOcc 0
15 mol 158 unq 3 iso 0 dist 8.79758 9.1854 9.88034 9.98554 12.9307 5.09517 numMergedOcc 0
16 mol 159 unq 0 iso 0 dist 7.67418 9.45909 3.29432 8.61788 4.31404 7.43333 numMergedOcc 0
17 mol 169 unq 0 iso 0 dist 9.25597 7.06772 3.38465 6.27378 6.05322 3.18152 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 8.11956 8.09915 4.4877 8.92335 9.59768 12.7357 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 8.96074 7.92513 8.8184 5.95109 5.11592 5.54474 numMergedOcc 0
20 mol 230 unq 0 iso 0 dist 7.668 6.75627 8.28207 5.48736 3.83847 5.12417 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 7.87797 6.93465 5.65659 4.44509 5.98994 3.13463 numMergedOcc 0
22 mol 286 unq 0 iso 0 dist 8.74892 5.58968 9.05435 6.89373 3.54121 5.83399 numMergedOcc 0
