0 mol 24 unq 0 iso 0 dist 7.40392 8.23069 5.54419 12.0896 6.7846 8.23075 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 7.40392 8.23069 5.54419 11.6432 8.03955 4.7841 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.06275 5.5249 8.80331 9.72346 9.86609 7.39848 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.90024 13.9129 8.80331 15.8838 9.86609 7.39848 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 5.48831 13.0773 9.96708 14.1978 10.7434 4.86198 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 5.48831 10.5933 9.78528 14.1978 10.7434 6.62699 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 9.29446 11.2307 7.9245 14.0524 5.34874 9.85512 numMergedOcc 0
7 mol 78 unq 1 iso 0 dist 9.29446 11.2307 7.9245 10.9234 3.68023 8.97888 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.9795 13.0232 6.19965 15.1781 8.18948 8.04242 numMergedOcc 0
9 mol 95 unq 0 iso 0 dist 6.86713 10.3731 9.03572 10.575 4.73066 7.51733 numMergedOcc 0
10 mol 95 unq 1 iso 0 dist 6.86713 7.4052 8.83255 10.575 4.73066 9.01607 numMergedOcc 0
11 mol 102 unq 0 iso 0 dist 8.84131 8.90571 7.36792 9.00369 3.48119 5.54256 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 7.85583 4.38646 7.71338 8.83567 4.69658 6.87434 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 8.86938 4.9102 7.71338 6.79584 4.69658 6.87434 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 9.70016 13.2553 5.86073 13.8486 5.37655 7.02367 numMergedOcc 0
15 mol 113 unq 1 iso 0 dist 9.70016 13.2553 5.86073 7.25771 5.46207 9.30832 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 6.23645 6.47836 6.90986 9.82655 6.34182 5.93278 numMergedOcc 0
17 mol 115 unq 1 iso 0 dist 6.23645 6.47836 6.90986 10.4156 8.66957 6.19918 numMergedOcc 0
18 mol 120 unq 0 iso 0 dist 5.06555 5.61914 6.44653 8.0889 5.61274 7.53694 numMergedOcc 0
19 mol 120 unq 1 iso 0 dist 5.06555 5.61914 6.44653 8.34958 3.35803 8.38358 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 9.94179 6.75154 6.5107 11.7708 6.12885 5.78814 numMergedOcc 0
21 mol 142 unq 0 iso 0 dist 8.86346 16.7609 9.2313 10.3674 4.05822 8.04118 numMergedOcc 0
22 mol 142 unq 1 iso 0 dist 8.86346 13.5268 7.73169 10.3674 4.05822 8.39035 numMergedOcc 0
23 mol 142 unq 2 iso 0 dist 4.93681 12.8283 9.2313 6.4119 4.05822 8.04118 numMergedOcc 0
24 mol 142 unq 3 iso 0 dist 4.93681 10.1677 7.73169 6.4119 4.05822 8.39035 numMergedOcc 0
25 mol 143 unq 0 iso 0 dist 7.73769 7.36837 5.99315 14.1304 9.14188 8.99891 numMergedOcc 0
26 mol 152 unq 0 iso 0 dist 8.34839 5.65129 8.56324 10.561 9.73449 7.55934 numMergedOcc 0
27 mol 214 unq 0 iso 0 dist 9.43611 11.2069 8.82096 6.26596 4.15355 9.06459 numMergedOcc 0
28 mol 235 unq 0 iso 0 dist 6.45574 6.70342 5.4638 8.28824 4.75609 8.08965 numMergedOcc 0
29 mol 235 unq 1 iso 0 dist 8.14407 6.01036 5.4638 11.7046 4.75609 8.08965 numMergedOcc 0
30 mol 248 unq 0 iso 0 dist 7.40475 7.63032 7.69895 5.76741 6.19721 7.79063 numMergedOcc 0
31 mol 248 unq 1 iso 0 dist 7.40475 6.42334 7.21521 5.76741 6.19721 9.64778 numMergedOcc 0
32 mol 253 unq 0 iso 0 dist 7.38315 10.6994 7.32223 9.64047 5.85692 9.19385 numMergedOcc 0
33 mol 253 unq 1 iso 0 dist 7.38315 10.6994 7.32223 15.4463 9.00842 7.14243 numMergedOcc 0
34 mol 253 unq 2 iso 0 dist 7.38315 10.6994 7.32223 16.1173 11.5574 5.77511 numMergedOcc 0
35 mol 253 unq 3 iso 0 dist 7.38315 10.6994 7.32223 17.188 12.8384 7.81382 numMergedOcc 0
36 mol 261 unq 0 iso 0 dist 9.80409 6.39263 8.45658 8.55479 11.4108 8.24356 numMergedOcc 0
37 mol 265 unq 0 iso 0 dist 8.49415 4.05162 8.4218 5.44039 7.71667 5.7944 numMergedOcc 0
38 mol 277 unq 0 iso 0 dist 7.23956 15.6875 9.7748 13.087 7.75371 5.69112 numMergedOcc 0
39 mol 277 unq 1 iso 0 dist 7.23956 15.6875 9.7748 15.8468 11.3546 7.2091 numMergedOcc 0
