0 mol 58 unq 0 iso 0 dist 4.88613 9.80755 8.89374 10.3132 8.62958 6.46761 9.05877 10.9864 9.17656 7.27383 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 8.2377 12.6436 5.64598 14.7651 7.4697 8.70133 21.0189 13.1821 11.2505 7.04044 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 8.2377 12.6436 5.64598 12.864 5.7113 4.65521 21.0189 13.1821 11.2505 8.73253 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 6.18305 4.31731 4.65521 11.0671 5.4148 8.70133 11.4574 8.73253 11.2505 7.04044 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 8.3164 5.49138 5.87358 11.4135 4.98336 9.20981 10.9842 5.34214 5.94311 7.55384 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 7.91337 6.02826 7.39889 11.7745 11.6667 9.63176 10.4469 14.7025 8.96522 7.77116 numMergedOcc 0
6 mol 131 unq 0 iso 0 dist 7.81337 6.25099 6.91348 10.4432 6.63273 8.6243 13.611 11.6142 8.15392 8.71039 numMergedOcc 0
7 mol 131 unq 1 iso 0 dist 7.81337 6.25099 6.91348 10.4432 6.63273 8.6243 6.99491 9.29384 6.01893 6.92648 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 9.92932 6.27009 8.79571 14.0674 8.80819 8.6355 18.0248 13.9396 11.9544 5.53031 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 9.60411 6.27009 5.42582 9.92932 5.49782 8.79571 8.2282 10.873 9.65798 8.20836 numMergedOcc 0
10 mol 134 unq 2 iso 0 dist 9.60411 6.27009 5.42582 14.0674 5.00817 8.6355 18.0248 10.1537 11.9544 5.53031 numMergedOcc 0
11 mol 134 unq 3 iso 0 dist 9.55556 10.2625 8.79571 16.0579 8.80819 8.6355 20.0472 13.9396 11.9544 5.53031 numMergedOcc 0
12 mol 183 unq 0 iso 0 dist 5.83071 9.81014 9.93083 10.342 6.64382 7.01383 15.0342 13.7917 5.45974 8.54827 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 7.86368 15.442 7.85175 12.3151 5.88703 6.25105 6.83465 7.5366 13.0974 8.24186 numMergedOcc 0
14 mol 236 unq 0 iso 0 dist 8.90987 14.3961 7.17676 11.2664 7.28249 5.34718 10.4981 11.9847 11.6774 8.50331 numMergedOcc 0
15 mol 272 unq 0 iso 0 dist 9.96394 5.98845 6.73206 13.3211 5.40809 9.09992 13.4231 11.9971 11.8912 9.19033 numMergedOcc 0
