0 mol 26 unq 0 iso 0 dist 9.7522 3.30063 7.98005 8.62527 4.52042 8.36742 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.7522 8.44515 8.31381 8.62527 4.52042 8.10028 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 7.10899 12.1168 9.99939 11.7558 5.3372 9.48195 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 7.10899 12.1168 9.99939 5.68877 4.30086 7.07773 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 5.73067 3.47751 8.83233 7.88321 6.31521 9.1568 numMergedOcc 0
5 mol 43 unq 0 iso 0 dist 8.38387 4.15592 9.02471 11.1748 9.69698 7.80117 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 8.38387 4.15592 9.02471 11.0563 5.90113 9.79386 numMergedOcc 0
7 mol 46 unq 0 iso 0 dist 9.77553 12.4324 9.45756 15.2293 9.79109 8.99393 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 5.9747 4.48773 7.92856 10.1506 11.8887 5.85622 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 4.50572 3.8493 7.92856 8.18252 11.8887 5.85622 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 8.35636 12.1455 7.44558 18.7321 11.619 7.68838 numMergedOcc 0
11 mol 122 unq 0 iso 0 dist 6.78949 6.80573 4.42563 11.2662 7.21898 8.08737 numMergedOcc 0
12 mol 122 unq 1 iso 0 dist 9.40018 12.9961 4.42563 14.6999 7.21898 8.08737 numMergedOcc 0
13 mol 123 unq 0 iso 0 dist 8.67193 12.0363 8.111 13.8178 7.35357 8.0933 numMergedOcc 0
14 mol 131 unq 0 iso 0 dist 7.81337 3.97269 8.80895 7.46875 5.29825 8.44004 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 8.58906 3.47137 9.32259 9.51041 12.5716 7.10869 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.84952 3.59953 8.29467 9.14877 7.07865 7.39733 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 9.84952 3.59953 8.29467 8.18021 13.9526 8.74268 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 7.80299 5.18174 9.65093 10.0076 8.3612 8.45086 numMergedOcc 0
19 mol 196 unq 0 iso 0 dist 6.25429 7.96489 4.67869 14.9075 9.06413 9.5228 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 9.32451 4.71803 8.94231 7.32196 6.13639 5.90826 numMergedOcc 0
21 mol 238 unq 1 iso 0 dist 9.32451 4.71803 8.94231 12.6099 11.8352 8.75412 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 6.44212 3.71488 4.43499 10.9473 4.77446 7.99963 numMergedOcc 0
23 mol 256 unq 0 iso 0 dist 7.67598 8.46364 4.80903 16.0373 9.94789 8.3597 numMergedOcc 0
24 mol 257 unq 0 iso 0 dist 7.82899 11.7751 9.6834 9.27027 6.64096 8.81508 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 8.49076 7.72539 8.12739 13.432 7.64772 8.90108 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 8.49076 8.78528 6.09853 14.7123 7.26296 7.70811 numMergedOcc 0
27 mol 274 unq 2 iso 0 dist 8.49076 8.78528 6.09853 13.432 7.64772 9.98144 numMergedOcc 0
28 mol 292 unq 0 iso 0 dist 9.20416 7.30677 4.49592 14.5129 5.81799 8.27039 numMergedOcc 0
29 mol 292 unq 1 iso 0 dist 7.53641 5.33412 4.49592 10.7581 5.81799 8.27039 numMergedOcc 0
