0 mol 20 unq 0 iso 0 dist 6.09002 7.06175 7.99756 12.7734 9.46385 8.25405 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.98005 7.11305 8.97754 8.44506 12.4814 6.38243 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 6.40219 7.18662 5.47447 14.2435 12.6338 7.56029 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 9.23438 13.5805 9.10675 14.62 6.21346 6.87028 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 7.17488 10.0669 9.10675 10.9864 6.21346 6.87028 numMergedOcc 0
5 mol 58 unq 2 iso 0 dist 6.79356 4.00553 9.10675 7.27383 6.21346 6.87028 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 8.06267 5.74372 9.63906 7.9814 9.21465 9.45329 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 5.88334 5.74372 7.71872 7.9814 6.22999 9.45329 numMergedOcc 0
8 mol 112 unq 0 iso 0 dist 6.87434 6.95317 5.92828 6.43433 4.25001 4.99604 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 4.80684 6.30721 4.55071 14.7025 10.7475 9.6121 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 7.60162 10.5082 4.55071 16.8218 10.7475 9.6121 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 6.09063 4.63567 4.94473 11.4153 12.7348 8.48313 numMergedOcc 0
12 mol 143 unq 0 iso 0 dist 8.64905 7.39837 6.60366 13.4668 5.42311 8.68663 numMergedOcc 0
13 mol 152 unq 0 iso 0 dist 6.79114 4.94983 8.60651 8.35555 4.78989 7.1069 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 5.90765 3.90244 8.92135 7.24795 9.28201 8.57801 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 9.65093 11.6282 9.4366 13.487 8.54557 6.07389 numMergedOcc 0
16 mol 194 unq 0 iso 0 dist 9.52922 10.0756 4.45769 6.26839 7.82899 5.53324 numMergedOcc 0
17 mol 194 unq 1 iso 0 dist 9.38984 13.9836 5.89939 17.0301 10.0237 5.53324 numMergedOcc 0
18 mol 194 unq 2 iso 0 dist 9.91118 15.5573 5.89939 18.7093 10.0237 5.53324 numMergedOcc 0
19 mol 251 unq 0 iso 0 dist 8.45764 11.5298 7.72528 10.0608 10.3735 6.42747 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 8.55044 12.2555 9.81261 19.4536 19.1465 9.39658 numMergedOcc 0
21 mol 252 unq 1 iso 0 dist 8.55044 12.2555 9.81261 16.6669 14.8966 5.9974 numMergedOcc 0
22 mol 266 unq 0 iso 0 dist 8.97531 4.74189 9.83672 7.71657 5.48178 8.20485 numMergedOcc 0
23 mol 278 unq 0 iso 0 dist 5.35705 10.0918 7.56691 7.67245 5.78276 7.59696 numMergedOcc 0
24 mol 278 unq 1 iso 0 dist 6.64378 6.48173 7.56691 9.12395 5.78276 7.59696 numMergedOcc 0
