0 mol 24 unq 0 iso 0 dist 8.48944 11.8259 9.586 9.79529 14.4081 9.44691 11.8013 13.5399 7.05541 6.72502 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.04448 6.2838 6.61696 9.79529 14.8647 8.60554 11.8013 13.0098 6.99746 6.72502 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.6834 6.2838 5.80953 9.79529 5.11636 8.60554 11.8013 8.24948 6.99746 6.72502 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 9.23015 6.84017 5.20109 8.94828 5.63212 6.16347 10.812 12.3361 11.0508 6.90155 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 9.23015 6.84017 5.20109 13.2682 6.47509 7.45383 17.6416 12.8378 11.7817 6.6492 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 5.91797 5.081 8.46823 9.32725 10.4782 6.65501 10.7165 12.2279 11.2092 7.26086 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 6.37954 5.081 4.62494 9.32725 3.9764 6.65501 10.7165 8.75597 11.2092 7.26086 numMergedOcc 0
7 mol 109 unq 0 iso 0 dist 6.62354 5.26309 7.56755 9.26438 5.00433 7.80523 12.3653 9.78192 10.8469 5.34214 numMergedOcc 0
8 mol 109 unq 1 iso 0 dist 8.00085 11.4333 7.56755 6.43255 5.00433 7.80523 5.55157 9.78192 10.8469 5.34214 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 5.05627 4.96213 6.65731 12.3743 13.4066 9.97343 4.86119 6.77921 5.38571 7.86572 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 9.11314 5.39614 5.06564 12.9413 4.78563 7.78652 20.4757 13.1913 15.0801 8.41611 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 9.11314 5.39614 5.06564 12.9413 4.78563 7.78652 16.3333 10.6706 11.5146 7.63338 numMergedOcc 0
12 mol 143 unq 2 iso 0 dist 9.11314 5.39614 5.06564 12.9413 4.78563 7.78652 13.2779 10.8457 8.97873 9.03707 numMergedOcc 0
13 mol 143 unq 3 iso 0 dist 9.11314 5.39614 5.06564 12.9413 4.78563 7.78652 11.3023 8.612 6.60479 7.25673 numMergedOcc 0
14 mol 143 unq 4 iso 0 dist 9.11314 7.44842 7.5373 12.9413 4.78563 8.91301 20.4757 13.1913 15.0315 8.41611 numMergedOcc 0
15 mol 143 unq 5 iso 0 dist 9.11314 7.44842 7.5373 12.9413 4.78563 8.91301 16.3333 10.6706 13.434 7.63338 numMergedOcc 0
16 mol 143 unq 6 iso 0 dist 9.11314 7.44842 7.5373 12.9413 4.78563 8.91301 13.2779 10.8457 6.29542 9.03707 numMergedOcc 0
17 mol 143 unq 7 iso 0 dist 9.11314 7.44842 7.5373 12.9413 4.78563 8.91301 11.3023 8.612 7.54337 7.25673 numMergedOcc 0
18 mol 188 unq 0 iso 0 dist 8.01604 5.58576 8.66624 10.4357 9.71636 7.14503 9.09717 7.79115 5.0782 8.57261 numMergedOcc 0
19 mol 188 unq 1 iso 0 dist 7.03264 9.66868 8.66624 14.3411 9.71636 7.14503 10.3393 7.79115 5.0782 8.57261 numMergedOcc 0
20 mol 195 unq 0 iso 0 dist 6.27266 6.31156 6.22742 4.78641 5.41635 7.36683 9.33058 6.34234 6.0634 6.60567 numMergedOcc 0
21 mol 195 unq 1 iso 0 dist 6.27266 6.31156 6.22742 12.0897 6.04871 9.26504 9.33058 6.34234 6.0634 7.62942 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 8.1692 5.70548 6.59036 7.57253 5.42461 9.05071 14.1473 10.7452 13.8622 7.83711 numMergedOcc 0
23 mol 234 unq 0 iso 0 dist 9.73257 11.3445 7.77911 16.6604 13.1872 7.32499 8.24481 10.0117 5.76537 9.007 numMergedOcc 0
