0 mol 25 unq 0 iso 0 dist 8.50987 9.41386 12.6859 12.3669 7.63928 16.447 9.55844 7.99919 16.0945 4.88495 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.50987 4.71964 5.86705 12.3669 7.63928 12.3312 9.55844 7.99919 10.8668 4.88495 numMergedOcc 0
2 mol 25 unq 2 iso 0 dist 8.50987 6.58478 10.7201 12.3669 7.63928 17.1584 9.55844 7.99919 15.0116 4.88495 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 7.36475 5.65006 6.77898 5.94401 6.4551 6.63973 8.41297 9.6952 11.8245 5.79134 numMergedOcc 0
4 mol 117 unq 0 iso 0 dist 8.98848 8.15473 3.55765 4.82309 6.90827 6.78655 10.1153 8.84018 10.2505 5.61881 numMergedOcc 0
5 mol 117 unq 1 iso 0 dist 8.98848 8.15473 3.55765 3.47603 8.90977 9.42037 10.1153 8.84018 10.2505 9.58747 numMergedOcc 0
6 mol 197 unq 0 iso 0 dist 7.18765 5.65314 9.61454 14.6497 8.3337 17.1416 4.26432 9.10817 6.69042 17.2264 numMergedOcc 0
7 mol 197 unq 1 iso 0 dist 7.18765 5.65314 9.61454 14.6497 8.3337 17.1416 14.0652 9.73548 18.0623 5.5875 numMergedOcc 0
8 mol 220 unq 0 iso 0 dist 5.07968 9.72819 9.82834 6.85536 7.16386 11.2042 4.49605 8.2123 11.2679 4.94998 numMergedOcc 0
9 mol 234 unq 0 iso 0 dist 7.17987 4.37501 3.95629 14.3029 7.86368 10.9409 12.4759 7.81215 11.2575 9.8663 numMergedOcc 0
10 mol 257 unq 0 iso 0 dist 5.13633 7.57749 5.66175 12.611 9.83721 15.1256 5.48725 7.81897 10.5453 14.007 numMergedOcc 0
11 mol 259 unq 0 iso 0 dist 9.89728 6.93417 11.8896 18.6806 9.54857 21.0823 13.7396 5.85442 16.4118 5.49348 numMergedOcc 0
12 mol 259 unq 1 iso 0 dist 9.89728 6.93417 11.8896 18.6806 9.54857 21.0823 15.7491 6.95511 17.0531 5.13138 numMergedOcc 0
13 mol 277 unq 0 iso 0 dist 6.86014 8.20902 3.97543 11.7966 9.29635 11.7453 11.4058 9.35539 13.0595 12.7269 numMergedOcc 0
14 mol 277 unq 1 iso 0 dist 6.86014 8.20902 3.97543 11.7966 9.29635 11.7453 14.6762 8.9682 7.16209 12.2421 numMergedOcc 0
15 mol 277 unq 2 iso 0 dist 6.86014 8.20902 3.97543 11.7966 9.29635 11.7453 11.68 6.92711 4.62936 10.9521 numMergedOcc 0
16 mol 277 unq 3 iso 0 dist 8.23147 7.98589 4.40029 3.72575 8.96343 10.3461 6.40883 5.46926 7.16209 6.17642 numMergedOcc 0
17 mol 277 unq 4 iso 0 dist 8.23147 7.98589 4.40029 3.72575 8.96343 10.3461 6.79352 5.13913 4.62936 8.24206 numMergedOcc 0
18 mol 277 unq 5 iso 0 dist 6.49176 7.98589 3.97543 7.86614 9.29635 11.7453 11.7592 9.35539 13.0595 12.7269 numMergedOcc 0
19 mol 277 unq 6 iso 0 dist 6.49176 7.98589 3.97543 7.86614 9.29635 11.7453 6.40883 8.9682 7.16209 12.2421 numMergedOcc 0
20 mol 277 unq 7 iso 0 dist 6.49176 7.98589 3.97543 7.86614 9.29635 11.7453 6.79352 6.92711 4.62936 10.9521 numMergedOcc 0
21 mol 292 unq 0 iso 0 dist 7.29148 9.17392 5.50627 4.34283 9.6898 12.5194 14.9639 9.9182 10.3673 18.4042 numMergedOcc 0
22 mol 292 unq 1 iso 0 dist 7.29148 9.17392 5.50627 4.34283 9.6898 12.5194 13.1177 8.9221 13.5486 14.5738 numMergedOcc 0
23 mol 292 unq 2 iso 0 dist 7.29148 9.17392 5.50627 11.1098 5.75596 9.7061 14.9639 9.9182 10.3673 6.65781 numMergedOcc 0
24 mol 292 unq 3 iso 0 dist 7.29148 9.17392 5.50627 11.1098 5.75596 9.7061 13.1177 8.9221 13.5486 4.00064 numMergedOcc 0
25 mol 292 unq 4 iso 0 dist 6.87804 8.51266 15.2885 12.1872 9.20416 18.5666 4.77692 7.20674 10.186 8.88312 numMergedOcc 0
26 mol 292 unq 5 iso 0 dist 6.87804 8.51266 15.2885 12.1872 9.20416 18.5666 6.38012 8.38121 12.5251 12.3704 numMergedOcc 0
27 mol 292 unq 6 iso 0 dist 6.87804 8.51266 15.2885 12.2904 7.53641 19.1766 4.77692 7.20674 10.186 10.0594 numMergedOcc 0
28 mol 292 unq 7 iso 0 dist 6.87804 8.51266 15.2885 12.2904 7.53641 19.1766 6.38012 8.38121 12.5251 15.5666 numMergedOcc 0
