0 mol 17 unq 0 iso 0 dist 9.5937 6.53817 10.1064 9.16861 10.7882 12.6863 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.5937 9.81769 11.3627 9.16861 10.7882 17.064 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 7.34681 6.53817 13.5023 9.16861 9.91874 12.6863 numMergedOcc 0
3 mol 17 unq 3 iso 0 dist 7.34681 9.81769 15.703 9.16861 9.91874 17.064 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 9.53081 5.36645 12.299 8.80334 16.9756 4.84988 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 9.06142 8.125 5.73783 6.28472 7.18997 5.007 numMergedOcc 0
6 mol 56 unq 1 iso 0 dist 9.06142 8.125 5.73783 8.74881 10.9335 11.3449 numMergedOcc 0
7 mol 56 unq 2 iso 0 dist 8.41264 8.125 10.7002 6.28472 8.66669 5.007 numMergedOcc 0
8 mol 56 unq 3 iso 0 dist 8.41264 8.125 10.7002 8.74881 7.7551 11.3449 numMergedOcc 0
9 mol 64 unq 0 iso 0 dist 8.86433 9.10915 14.8927 7.72437 7.71161 10.6667 numMergedOcc 0
10 mol 64 unq 1 iso 0 dist 8.86433 7.02352 6.15294 7.72437 7.71161 5.76588 numMergedOcc 0
11 mol 64 unq 2 iso 0 dist 5.66803 5.54343 5.9853 8.61926 4.56868 5.35421 numMergedOcc 0
12 mol 69 unq 0 iso 0 dist 8.70964 8.24121 6.57301 5.29487 10.6503 11.1718 numMergedOcc 0
13 mol 69 unq 1 iso 0 dist 8.70964 8.52371 10.2661 5.29487 10.6503 5.16281 numMergedOcc 0
14 mol 69 unq 2 iso 0 dist 8.70964 6.8198 8.09841 5.29487 10.6503 6.26716 numMergedOcc 0
15 mol 71 unq 0 iso 0 dist 8.92529 8.21553 6.10737 6.59302 4.96361 9.06307 numMergedOcc 0
16 mol 71 unq 1 iso 0 dist 8.92529 8.21553 6.10737 9.93626 11.7369 11.3111 numMergedOcc 0
17 mol 71 unq 2 iso 0 dist 8.92529 8.22762 6.78097 6.59302 4.96361 7.31251 numMergedOcc 0
18 mol 71 unq 3 iso 0 dist 8.92529 8.22762 6.78097 9.93626 11.7369 5.11959 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 8.80824 6.09472 6.80053 8.81198 5.13314 5.60178 numMergedOcc 0
20 mol 115 unq 1 iso 0 dist 9.67606 6.09472 4.45342 8.81198 6.8882 5.60178 numMergedOcc 0
21 mol 133 unq 0 iso 0 dist 8.76088 8.96061 8.99025 6.61636 12.398 12.8483 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 5.40826 7.5984 9.02772 8.57285 6.60792 5.44503 numMergedOcc 0
23 mol 167 unq 0 iso 0 dist 7.20545 8.58946 4.70374 9.72291 10.4219 11.206 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 6.19457 6.01711 6.89436 7.13078 3.96523 5.38746 numMergedOcc 0
25 mol 206 unq 0 iso 0 dist 9.42047 7.0119 4.1887 9.5964 8.42007 4.8585 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 4.36421 7.77535 7.98893 6.96139 10.6276 7.62375 numMergedOcc 0
27 mol 220 unq 0 iso 0 dist 6.39087 7.30244 12.2765 9.13234 7.56892 12.4477 numMergedOcc 0
28 mol 220 unq 1 iso 0 dist 6.39087 7.29796 13.2427 9.13234 7.56892 12.3083 numMergedOcc 0
29 mol 220 unq 2 iso 0 dist 6.50756 9.85951 5.55687 9.49722 7.8513 5.21956 numMergedOcc 0
30 mol 228 unq 0 iso 0 dist 9.9685 9.29603 11.0679 7.95486 13.9493 5.03713 numMergedOcc 0
31 mol 228 unq 1 iso 0 dist 9.9685 9.29603 11.0679 4.42593 7.98833 8.37385 numMergedOcc 0
32 mol 228 unq 2 iso 0 dist 9.9685 9.29603 11.0679 7.33564 5.16211 6.40555 numMergedOcc 0
33 mol 236 unq 0 iso 0 dist 4.71683 6.73134 7.41812 5.77356 4.71339 6.40312 numMergedOcc 0
34 mol 236 unq 1 iso 0 dist 4.71683 6.73134 7.41812 9.24309 11.3543 6.2568 numMergedOcc 0
35 mol 239 unq 0 iso 0 dist 8.48545 9.27989 13.3838 9.51945 9.75577 18.276 numMergedOcc 0
36 mol 273 unq 0 iso 0 dist 5.78262 6.54753 4.77695 6.59786 8.67797 4.89568 numMergedOcc 0
37 mol 273 unq 1 iso 0 dist 5.78262 6.54753 4.77695 7.96519 13.2599 11.5447 numMergedOcc 0
38 mol 273 unq 2 iso 0 dist 7.6489 6.54753 9.01117 6.59786 9.47855 4.89568 numMergedOcc 0
39 mol 273 unq 3 iso 0 dist 7.6489 6.54753 9.01117 7.96519 10.9195 11.5447 numMergedOcc 0
40 mol 281 unq 0 iso 0 dist 7.65321 9.65665 6.20237 7.82968 5.9708 7.42063 numMergedOcc 0
