0 mol 26 unq 0 iso 0 dist 9.08976 17.0306 9.25649 7.56492 5.84066 14.3725 numMergedOcc 0
1 mol 26 unq 1 iso 0 dist 9.08976 11.9941 9.36104 7.56492 5.84066 11.3426 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 7.41523 8.02771 5.52067 5.78606 7.29079 7.20383 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 8.74341 10.9324 9.87677 12.4494 9.1062 6.35287 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 9.70951 10.7632 9.05798 12.3592 6.55202 9.75037 numMergedOcc 0
5 mol 119 unq 1 iso 0 dist 9.70951 10.7632 9.05798 4.06236 9.08536 13.2984 numMergedOcc 0
6 mol 119 unq 2 iso 0 dist 9.70951 5.89251 5.85818 12.3592 6.55202 6.71103 numMergedOcc 0
7 mol 119 unq 3 iso 0 dist 9.70951 5.89251 5.85818 4.06236 9.08536 6.29394 numMergedOcc 0
8 mol 128 unq 0 iso 0 dist 5.89919 7.33078 9.89462 5.93759 6.47811 9.96803 numMergedOcc 0
9 mol 128 unq 1 iso 0 dist 8.04178 5.34549 9.89462 10.8398 6.47811 9.96803 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 6.33375 4.33924 8.77898 9.88169 5.73203 12.9744 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 6.33375 4.33924 8.77898 11.8593 6.57379 15.1517 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 6.77398 9.27429 8.27673 5.90154 5.06715 4.72412 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 8.06229 11.5637 8.27673 9.40104 5.06715 4.72412 numMergedOcc 0
14 mol 140 unq 0 iso 0 dist 9.53229 7.91707 8.06396 3.8853 6.88846 7.06747 numMergedOcc 0
15 mol 140 unq 1 iso 0 dist 9.53229 10.9413 8.01587 3.8853 6.88846 7.10913 numMergedOcc 0
16 mol 175 unq 0 iso 0 dist 7.06919 11.1891 7.01126 5.74987 9.76114 15.0659 numMergedOcc 0
17 mol 175 unq 1 iso 0 dist 7.06919 5.28649 6.58434 5.74987 9.76114 10.6405 numMergedOcc 0
18 mol 182 unq 0 iso 0 dist 6.76894 6.38456 8.89822 3.99818 7.25621 5.82684 numMergedOcc 0
19 mol 225 unq 0 iso 0 dist 7.21089 9.53753 5.13453 15.3114 8.91356 6.35462 numMergedOcc 0
20 mol 225 unq 1 iso 0 dist 7.21089 9.53753 5.13453 11.6782 9.57455 5.72293 numMergedOcc 0
21 mol 225 unq 2 iso 0 dist 7.21089 6.64709 7.95883 15.3114 8.91356 16.563 numMergedOcc 0
22 mol 225 unq 3 iso 0 dist 7.21089 6.64709 7.95883 11.6782 9.57455 14.369 numMergedOcc 0
23 mol 235 unq 0 iso 0 dist 7.79898 12.3715 9.31673 4.23778 7.02029 9.78535 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 6.59305 8.22473 8.6597 11.3437 9.38131 4.14399 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 9.13022 13.402 7.61203 5.6469 7.39547 8.5378 numMergedOcc 0
26 mol 239 unq 0 iso 0 dist 7.34653 6.92708 5.45844 6.34948 9.74902 7.16787 numMergedOcc 0
