0 mol 24 unq 0 iso 0 dist 6.60423 9.41441 11.9395 5.39241 8.62284 13.2857 9.88364 13.9632 9.85784 9.2029 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.60423 9.41441 11.9395 5.39241 8.62284 13.2857 9.78753 15.2234 9.87996 10.007 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 6.6492 7.45383 11.7817 4.70708 8.5404 10.7875 6.47509 12.8378 5.20109 8.44757 numMergedOcc 0
3 mol 26 unq 0 iso 0 dist 8.6385 7.36856 5.30297 4.74747 7.61055 7.3022 7.73394 6.73167 6.07276 10.267 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 8.65802 7.52354 5.8102 12.3813 9.20197 14.3836 6.95017 12.4442 8.93769 17.442 numMergedOcc 0
5 mol 143 unq 0 iso 0 dist 8.41611 7.78652 15.0801 5.44503 6.40901 13.204 4.78563 13.1913 5.06564 9.4389 numMergedOcc 0
6 mol 143 unq 1 iso 0 dist 8.41611 8.91301 15.0315 5.44503 6.40901 13.8861 4.78563 13.1913 7.5373 9.4389 numMergedOcc 0
7 mol 143 unq 2 iso 0 dist 7.63338 7.78652 11.5146 6.01455 8.1582 6.46089 4.78563 10.6706 5.06564 4.38322 numMergedOcc 0
8 mol 143 unq 3 iso 0 dist 7.63338 7.78652 11.5146 5.44503 9.40626 13.204 4.78563 10.6706 5.06564 9.4389 numMergedOcc 0
9 mol 143 unq 4 iso 0 dist 7.63338 8.91301 13.434 6.01455 8.1582 10.1154 4.78563 10.6706 7.5373 4.38322 numMergedOcc 0
10 mol 143 unq 5 iso 0 dist 7.63338 8.91301 13.434 5.44503 9.40626 13.8861 4.78563 10.6706 7.5373 9.4389 numMergedOcc 0
11 mol 143 unq 6 iso 0 dist 7.25673 7.78652 6.60479 6.01455 7.88655 6.46089 4.78563 8.612 5.06564 4.38322 numMergedOcc 0
12 mol 143 unq 7 iso 0 dist 7.25673 8.91301 7.54337 6.01455 7.88655 10.1154 4.78563 8.612 7.5373 4.38322 numMergedOcc 0
13 mol 159 unq 0 iso 0 dist 7.25742 8.4858 7.97232 4.57561 7.13269 5.9032 4.48323 6.07821 9.35202 4.27525 numMergedOcc 0
14 mol 171 unq 0 iso 0 dist 7.71426 5.93786 6.29877 8.08908 5.73148 10.4506 9.35703 11.1022 9.34834 12.1271 numMergedOcc 0
15 mol 171 unq 1 iso 0 dist 7.71426 5.93786 6.29877 8.08908 5.73148 10.4506 9.14311 10.6118 5.74846 14.0974 numMergedOcc 0
16 mol 171 unq 2 iso 0 dist 5.10618 8.24693 6.29877 6.05805 5.73148 10.4506 14.4375 11.1022 9.34834 12.1271 numMergedOcc 0
17 mol 171 unq 3 iso 0 dist 5.10618 8.24693 6.29877 6.05805 5.73148 10.4506 13.6262 10.6118 5.74846 14.0974 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 6.72641 7.76163 6.71237 10.5203 9.59034 9.84492 14.106 10.5765 9.99396 6.00734 numMergedOcc 0
19 mol 188 unq 0 iso 0 dist 8.57261 7.14503 5.0782 12.0548 7.48284 11.4648 9.71636 7.79115 8.66624 6.39872 numMergedOcc 0
20 mol 194 unq 0 iso 0 dist 6.26839 8.65535 5.92931 15.9311 9.77862 11.6497 10.0756 5.53324 4.19371 8.31541 numMergedOcc 0
21 mol 194 unq 1 iso 0 dist 6.26839 8.65535 5.92931 15.9311 9.77862 11.6497 16.4082 11.4466 9.71015 7.48472 numMergedOcc 0
22 mol 194 unq 2 iso 0 dist 8.83356 8.29382 12.361 5.38925 9.77862 13.132 5.97754 9.996 8.64056 10.6399 numMergedOcc 0
23 mol 194 unq 3 iso 0 dist 8.83356 6.72379 7.50057 5.38925 9.77862 9.3402 4.66791 6.72182 9.00322 6.72001 numMergedOcc 0
24 mol 195 unq 0 iso 0 dist 6.60567 7.36683 6.0634 13.6975 9.79691 14.0228 5.41635 6.34234 6.22742 10.5776 numMergedOcc 0
25 mol 195 unq 1 iso 0 dist 7.62942 9.26504 6.0634 6.08211 9.79691 14.0228 6.04871 6.34234 6.22742 10.5776 numMergedOcc 0
26 mol 227 unq 0 iso 0 dist 8.03442 7.43071 12.8075 6.43754 7.1372 12.2922 5.0317 9.43618 9.18728 4.09934 numMergedOcc 0
27 mol 227 unq 1 iso 0 dist 8.03442 5.41321 4.59123 6.43754 7.1372 7.57454 5.0317 9.43618 8.91971 4.09934 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 6.43341 9.09855 5.89415 7.18967 8.23056 12.8413 4.14939 7.37478 8.98854 10.8722 numMergedOcc 0
