0 mol 26 unq 0 iso 0 dist 9.7522 9.90986 7.11305 11.7823 6.73162 9.96121 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 6.88695 9.63803 8.25132 6.66387 9.16962 5.84066 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.36193 8.85156 4.23671 6.05206 9.64665 13.4636 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 4.88613 8.85156 5.6823 9.80755 8.89374 13.8436 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 6.65344 8.35477 3.98306 10.4897 6.71911 10.1052 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.67532 9.762 5.9144 13.4661 7.13087 12.8714 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 6.4551 6.63973 6.77898 13.2281 9.49449 10.9283 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 8.69069 9.70292 7.26851 4.41983 8.67367 10.8228 numMergedOcc 0
8 mol 95 unq 1 iso 0 dist 8.69069 9.59704 9.13016 4.41983 8.67367 13.0863 numMergedOcc 0
9 mol 109 unq 0 iso 0 dist 8.3164 9.94704 5.00433 5.49138 5.87358 9.74008 numMergedOcc 0
10 mol 109 unq 1 iso 0 dist 8.3164 8.30089 6.35679 5.49138 5.87358 8.38791 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 5.02717 6.31773 5.03039 9.81097 8.66155 13.0432 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 7.95871 9.79864 9.62029 10.3995 6.99777 15.6766 numMergedOcc 0
13 mol 115 unq 2 iso 0 dist 7.95871 9.79864 9.62029 9.81323 9.14376 14.7871 numMergedOcc 0
14 mol 119 unq 0 iso 0 dist 7.91337 5.90003 6.30721 6.02826 7.39889 6.55202 numMergedOcc 0
15 mol 130 unq 0 iso 0 dist 5.49877 5.82945 4.97996 6.53156 6.89257 10.1252 numMergedOcc 0
16 mol 130 unq 1 iso 0 dist 5.49877 5.82945 4.97996 4.72188 8.74308 10.5067 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 9.55556 8.78303 7.41373 10.2625 8.79571 11.7151 numMergedOcc 0
18 mol 152 unq 0 iso 0 dist 8.07256 9.81212 7.68889 6.51591 9.13561 14.159 numMergedOcc 0
19 mol 155 unq 0 iso 0 dist 4.44292 7.25009 7.10286 4.40049 7.39644 5.36254 numMergedOcc 0
20 mol 155 unq 1 iso 0 dist 4.44292 7.25009 7.10286 6.61119 7.70572 12.6321 numMergedOcc 0
21 mol 224 unq 0 iso 0 dist 8.39002 6.32334 7.05804 7.90095 6.87664 10.8888 numMergedOcc 0
22 mol 238 unq 0 iso 0 dist 9.32451 9.99194 5.27215 4.81145 6.05141 8.69525 numMergedOcc 0
23 mol 238 unq 1 iso 0 dist 9.66555 6.96382 6.82305 8.92175 7.49471 7.24334 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 9.12507 4.95855 7.09907 4.09442 8.37865 6.23661 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 9.12507 7.72489 9.71793 4.09442 8.37865 9.43105 numMergedOcc 0
26 mol 266 unq 0 iso 0 dist 8.59986 6.22195 4.74189 10.0609 9.02188 11.6498 numMergedOcc 0
27 mol 274 unq 0 iso 0 dist 6.55855 4.97796 8.87855 5.95459 9.19234 6.66172 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 5.75596 9.7061 5.50627 6.58789 9.454 12.2657 numMergedOcc 0
