0 mol 59 unq 0 iso 0 dist 5.8166 8.97292 6.34748 7.2878 9.05547 6.85766 9.55542 10.5678 6.71911 7.29033 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 5.8166 8.97292 6.34748 14.1347 13.5562 7.71095 9.55542 10.5678 6.71911 5.33688 numMergedOcc 0
2 mol 59 unq 2 iso 0 dist 6.47468 8.97292 13.0793 7.2878 12.9592 6.85766 9.55542 15.449 6.71911 7.29033 numMergedOcc 0
3 mol 59 unq 3 iso 0 dist 6.47468 8.97292 13.0793 14.1347 19.6226 7.71095 9.55542 15.449 6.71911 5.33688 numMergedOcc 0
4 mol 86 unq 0 iso 0 dist 9.59708 7.26032 6.51657 5.91309 13.9582 9.5497 11.9674 13.6852 7.79359 9.68893 numMergedOcc 0
5 mol 86 unq 1 iso 0 dist 7.18799 7.26032 5.19926 5.91309 10.3472 9.5497 11.9674 10.8021 7.79359 9.68893 numMergedOcc 0
6 mol 86 unq 2 iso 0 dist 8.4254 5.49793 5.19926 5.82069 10.3472 9.5497 4.51657 10.8021 7.79359 9.68893 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 9.52282 5.09688 6.89762 9.65979 9.57498 6.45675 10.6273 6.0026 8.72704 7.2495 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 9.52282 5.09688 6.89762 12.2879 10.0165 7.47343 10.6273 6.0026 8.72704 10.1589 numMergedOcc 0
9 mol 100 unq 2 iso 0 dist 9.52282 5.09688 6.89762 10.2364 15.6218 8.86688 10.6273 6.0026 8.72704 15.9331 numMergedOcc 0
10 mol 114 unq 0 iso 0 dist 5.66196 5.87387 5.24877 6.4595 9.24515 7.5732 6.2394 11.3006 8.71128 5.80557 numMergedOcc 0
11 mol 114 unq 1 iso 0 dist 5.66196 6.06543 8.47567 5.51609 11.0684 7.35754 6.2394 11.3006 7.52743 4.77056 numMergedOcc 0
12 mol 127 unq 0 iso 0 dist 9.57623 9.79448 8.89539 7.78467 12.2522 8.14887 11.8721 10.9741 8.59981 14.9761 numMergedOcc 0
13 mol 127 unq 1 iso 0 dist 9.57623 9.79448 8.89539 7.78467 12.2522 8.14887 11.5439 15.4483 7.34519 7.41404 numMergedOcc 0
14 mol 127 unq 2 iso 0 dist 9.57623 9.79448 8.89539 6.02237 6.66607 9.30299 11.8721 10.9741 8.59981 14.085 numMergedOcc 0
15 mol 127 unq 3 iso 0 dist 9.57623 9.79448 8.89539 6.02237 6.66607 9.30299 11.5439 15.4483 7.34519 13.1312 numMergedOcc 0
16 mol 131 unq 0 iso 0 dist 8.95717 9.69757 15.665 6.82985 15.0724 7.12972 12.4356 19.3353 8.6243 6.19596 numMergedOcc 0
17 mol 132 unq 0 iso 0 dist 7.14447 9.0339 11.6877 15.9368 17.544 7.7059 9.29705 14.6742 6.03703 9.92344 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 8.2872 6.99089 7.46245 10.1742 13.9196 6.54501 15.1358 13.1565 8.6355 10.1448 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 8.2872 6.99089 7.46245 12.6542 13.403 6.49416 15.1358 13.1565 8.6355 5.41704 numMergedOcc 0
20 mol 167 unq 0 iso 0 dist 6.5782 6.64164 6.43506 5.361 7.83781 9.87651 6.90242 11.0314 8.62646 6.58937 numMergedOcc 0
21 mol 182 unq 0 iso 0 dist 7.03216 6.31492 9.72559 7.48422 9.36307 9.31746 5.37421 12.0424 6.73313 11.1088 numMergedOcc 0
22 mol 182 unq 1 iso 0 dist 9.42196 6.31492 13.9897 7.48422 15.8237 9.31746 5.37421 11.6684 6.73313 11.1088 numMergedOcc 0
23 mol 227 unq 0 iso 0 dist 9.09371 6.18486 8.98613 6.78651 12.1015 7.55216 5.31715 11.7694 8.83563 11.662 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 7.00773 9.82174 9.4693 10.4397 10.639 6.57393 12.5765 15.1787 6.91569 10.9761 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 8.27377 7.0247 12.8819 10.9027 18.9173 9.02271 3.494 11.3493 7.19465 7.92528 numMergedOcc 0
26 mol 282 unq 0 iso 0 dist 7.28238 7.90792 7.94567 8.93697 12.9555 6.33524 6.63358 11.4162 7.32347 6.3384 numMergedOcc 0
27 mol 282 unq 1 iso 0 dist 7.3389 7.90792 11.2762 8.93697 12.9821 6.33524 6.63358 7.10557 7.32347 6.3384 numMergedOcc 0
28 mol 294 unq 0 iso 0 dist 9.2924 7.1984 6.6414 6.23921 11.4441 8.15665 6.28374 8.05845 9.03492 6.17102 numMergedOcc 0
