0 mol 26 unq 0 iso 0 dist 9.7522 9.90986 7.11305 15.0931 8.34347 14.8317 11.7823 6.73162 9.96121 7.23546 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.88695 9.63803 8.25132 5.3315 8.34347 13.6027 6.66387 9.16962 5.84066 11.887 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.36193 8.85156 4.23671 5.40367 6.62496 10.2845 6.05206 9.64665 13.4636 4.67832 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 4.88613 8.85156 5.6823 5.40367 6.35756 10.2845 9.80755 8.89374 13.8436 6.47744 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 6.65344 8.35477 3.98306 5.29688 6.85766 10.4167 10.4897 6.71911 10.1052 7.29033 numMergedOcc 0
5 mol 59 unq 1 iso 0 dist 6.65344 8.35477 3.98306 13.1729 7.71095 10.5771 10.4897 6.71911 10.1052 5.33688 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 6.4551 6.63973 6.77898 8.78063 6.97941 9.76346 13.2281 9.49449 10.9283 6.06861 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 8.3164 9.94704 5.00433 11.5656 8.69985 8.52024 5.49138 5.87358 9.74008 9.46098 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 8.3164 8.30089 6.35679 11.5656 8.69985 14.6042 5.49138 5.87358 8.38791 9.46098 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 5.02717 6.31773 5.03039 5.28901 7.30858 6.04595 9.81097 8.66155 13.0432 11.3902 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 5.02717 6.31773 5.03039 6.75472 5.83991 10.5599 9.81097 8.66155 13.0432 6.09023 numMergedOcc 0
11 mol 115 unq 2 iso 0 dist 5.02717 6.31773 5.03039 11.0268 7.88312 11.8378 9.81097 8.66155 13.0432 4.61908 numMergedOcc 0
12 mol 115 unq 3 iso 0 dist 7.95871 9.79864 9.62029 4.86477 6.11741 9.13312 10.3995 6.99777 15.6766 10.8292 numMergedOcc 0
13 mol 115 unq 4 iso 0 dist 7.95871 9.79864 9.62029 4.86477 6.11741 9.13312 9.81323 9.14376 14.7871 6.12943 numMergedOcc 0
14 mol 115 unq 5 iso 0 dist 7.95871 9.79864 9.62029 12.0354 7.88312 14.3246 10.3995 6.99777 15.6766 11.7126 numMergedOcc 0
15 mol 115 unq 6 iso 0 dist 7.95871 9.79864 9.62029 12.0354 7.88312 14.3246 9.81323 9.14376 14.7871 4.62962 numMergedOcc 0
16 mol 130 unq 0 iso 0 dist 5.49877 5.82945 4.97996 3.96103 8.70949 6.93139 6.53156 6.89257 10.1252 8.84655 numMergedOcc 0
17 mol 130 unq 1 iso 0 dist 5.49877 5.82945 4.97996 3.96103 8.70949 6.93139 4.72188 8.74308 10.5067 6.76754 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 9.55556 8.78303 7.41373 11.9294 8.94367 9.33094 10.2625 8.79571 11.7151 5.41704 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 9.55556 8.78303 7.41373 6.36794 9.86662 8.69531 10.2625 8.79571 11.7151 6.17103 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 8.07256 9.81212 7.68889 10.4039 8.56324 15.817 6.51591 9.13561 14.159 5.99333 numMergedOcc 0
21 mol 152 unq 1 iso 0 dist 8.07256 9.81212 7.68889 11.1874 6.70283 12.3868 6.51591 9.13561 14.159 8.25411 numMergedOcc 0
22 mol 152 unq 2 iso 0 dist 8.07256 9.81212 7.68889 8.36099 7.16148 9.37904 6.51591 9.13561 14.159 7.89109 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 8.39002 6.32334 7.05804 9.98893 8.95269 13.2325 7.90095 6.87664 10.8888 7.98696 numMergedOcc 0
24 mol 224 unq 1 iso 0 dist 8.39002 6.32334 7.05804 5.72088 6.57273 8.79428 7.90095 6.87664 10.8888 7.12232 numMergedOcc 0
25 mol 224 unq 2 iso 0 dist 8.39002 6.32334 7.05804 6.51315 5.78342 6.8692 7.90095 6.87664 10.8888 5.3621 numMergedOcc 0
26 mol 238 unq 0 iso 0 dist 9.66555 6.96382 6.82305 12.2428 6.22714 10.1172 8.92175 7.49471 7.24334 5.17471 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 9.12507 4.95855 7.09907 5.59901 5.30224 6.9899 4.09442 8.37865 6.23661 5.31048 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 9.12507 7.72489 9.71793 5.59901 5.30224 10.4017 4.09442 8.37865 9.43105 5.31048 numMergedOcc 0
