0 mol 9 unq 0 iso 0 dist 9.8978 11.3797 9.62394 10.4202 7.35972 16.147 12.8762 9.5997 8.57077 14.519 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 9.8978 11.3797 9.62394 15.4091 9.93542 19.4709 12.8762 9.5997 8.57077 18.1148 numMergedOcc 0
2 mol 9 unq 2 iso 0 dist 6.26276 11.7623 9.62394 6.29049 7.35972 16.147 13.0231 9.5997 8.57077 14.519 numMergedOcc 0
3 mol 9 unq 3 iso 0 dist 6.26276 11.7623 9.62394 10.6101 9.93542 19.4709 13.0231 9.5997 8.57077 18.1148 numMergedOcc 0
4 mol 11 unq 0 iso 0 dist 9.52695 5.8961 5.96346 9.36527 7.98326 10.7734 10.2486 6.86684 4.61088 13.8584 numMergedOcc 0
5 mol 11 unq 1 iso 0 dist 9.52695 5.8961 5.96346 10.1362 7.46578 9.62262 10.2486 6.86684 4.61088 10.604 numMergedOcc 0
6 mol 15 unq 0 iso 0 dist 5.19544 7.63656 7.07399 8.80394 6.03257 4.39605 8.72187 4.29582 8.38064 7.48342 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 4.38047 6.76462 6.14538 10.5895 9.17082 4.24786 5.97635 4.29856 6.83299 10.4031 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 5.94696 12.4265 6.7117 9.51607 7.36769 7.94178 12.3884 7.06961 5.08437 11.3043 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 5.94696 12.4265 6.7117 12.5752 6.88901 4.4057 12.3884 7.06961 5.08437 6.65501 numMergedOcc 0
10 mol 98 unq 2 iso 0 dist 5.94696 7.1452 4.47349 9.51607 7.36769 9.85543 12.3884 7.06961 6.10456 11.3043 numMergedOcc 0
11 mol 98 unq 3 iso 0 dist 5.94696 7.1452 4.47349 12.5752 6.88901 9.67482 12.3884 7.06961 6.10456 6.65501 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 9.66068 16.3524 8.8822 14.6132 6.6317 7.27193 15.1632 10.1816 5.86073 11.9334 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 9.04845 14.5617 6.16242 6.26174 8.95662 12.131 11.3707 4.54648 6.29155 10.9581 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 9.04845 13.7612 5.87634 6.26174 8.95662 14.8102 11.3707 4.54648 6.80239 10.9581 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 7.94325 11.4104 6.16242 5.53181 8.95662 12.131 11.8159 4.54648 6.29155 10.9581 numMergedOcc 0
16 mol 133 unq 3 iso 0 dist 7.94325 12.9605 5.87634 5.53181 8.95662 14.8102 11.8159 4.54648 6.80239 10.9581 numMergedOcc 0
17 mol 133 unq 4 iso 0 dist 6.72323 10.2385 6.16242 14.5316 8.95662 12.131 5.82404 4.54648 6.29155 10.9581 numMergedOcc 0
18 mol 133 unq 5 iso 0 dist 6.72323 4.64588 5.87634 14.5316 8.95662 14.8102 5.82404 4.54648 6.80239 10.9581 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 6.95568 4.11061 6.59025 10.453 8.86197 7.81713 11.5719 8.04639 8.03334 6.2479 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 6.95568 4.11061 6.59025 3.97538 5.94379 7.16549 11.5719 8.04639 8.03334 12.8648 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 9.07527 9.32503 5.9176 10.0344 7.22883 6.29863 12.06 5.63555 7.63312 11.9764 numMergedOcc 0
22 mol 232 unq 0 iso 0 dist 7.83422 9.60401 9.05071 6.36084 9.8664 4.9377 9.29752 8.80479 8.27212 9.40808 numMergedOcc 0
23 mol 249 unq 0 iso 0 dist 6.58109 9.9244 5.48118 6.02223 5.9627 9.0676 15.0261 10.7772 7.57994 16.0282 numMergedOcc 0
24 mol 249 unq 1 iso 0 dist 6.58109 9.9244 5.48118 6.02223 5.9627 9.0676 10.454 7.04666 6.18582 12.4721 numMergedOcc 0
25 mol 274 unq 0 iso 0 dist 9.11072 9.85454 9.85289 5.15747 6.88827 5.29529 12.6706 6.20558 7.56915 8.52587 numMergedOcc 0
26 mol 274 unq 1 iso 0 dist 9.11072 9.85454 9.85289 5.15747 6.88827 5.29529 16.6696 11.4459 8.49997 11.6126 numMergedOcc 0
27 mol 274 unq 2 iso 0 dist 9.02071 5.9882 9.85289 4.36131 6.88827 5.29529 9.71801 6.20558 7.56915 8.52587 numMergedOcc 0
28 mol 274 unq 3 iso 0 dist 9.02071 5.9882 9.85289 4.36131 6.88827 5.29529 13.4994 11.4459 8.49997 11.6126 numMergedOcc 0
