0 mol 25 unq 0 iso 0 dist 6.23095 10.747 7.31767 7.40735 7.685 8.43188 11.9503 7.6114 6.10919 7.1845 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 6.23095 11.5983 6.03987 7.40735 7.685 10.3635 11.9503 7.6114 5.86705 7.1845 numMergedOcc 0
2 mol 72 unq 0 iso 0 dist 6.68311 8.1124 8.8178 13.1473 6.77912 12.0644 8.89611 7.12321 4.27726 9.88768 numMergedOcc 0
3 mol 72 unq 1 iso 0 dist 6.68311 15.0607 9.96708 13.1473 6.77912 7.11552 8.89611 7.12321 7.47371 9.88768 numMergedOcc 0
4 mol 72 unq 2 iso 0 dist 6.7212 11.6369 9.96708 5.00053 7.321 9.0131 11.1406 9.55118 5.69391 6.74416 numMergedOcc 0
5 mol 72 unq 3 iso 0 dist 6.7212 11.6369 9.96708 5.00053 7.321 9.0131 8.28664 9.10345 13.4212 5.63793 numMergedOcc 0
6 mol 72 unq 4 iso 0 dist 6.7212 6.12361 9.78528 5.00053 7.321 6.11922 11.1406 9.55118 9.78221 6.74416 numMergedOcc 0
7 mol 72 unq 5 iso 0 dist 6.7212 6.12361 9.78528 5.00053 7.321 6.11922 8.28664 9.10345 11.6634 5.63793 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 10.0721 4.65521 7.41074 15.7072 8.68662 6.20232 6.10063 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 8.124 13.4367 6.19304 10.0721 4.65521 7.41074 15.2252 7.4369 5.70116 6.15714 numMergedOcc 0
10 mol 86 unq 0 iso 0 dist 8.40609 9.54732 9.5497 6.82648 7.79359 9.68893 4.74546 7.90423 6.98209 9.49725 numMergedOcc 0
11 mol 100 unq 0 iso 0 dist 8.92577 6.89293 6.45675 7.38658 8.72704 7.2495 10.5559 7.82475 5.43561 12.5061 numMergedOcc 0
12 mol 100 unq 1 iso 0 dist 8.92577 6.89293 6.45675 7.38658 8.72704 7.2495 11.1947 5.35782 6.30222 12.1093 numMergedOcc 0
13 mol 100 unq 2 iso 0 dist 8.92577 12.0555 7.47343 7.38658 8.72704 10.1589 10.5559 7.82475 5.9143 12.5061 numMergedOcc 0
14 mol 100 unq 3 iso 0 dist 8.92577 12.0555 7.47343 7.38658 8.72704 10.1589 11.1947 5.35782 5.47563 12.1093 numMergedOcc 0
15 mol 100 unq 4 iso 0 dist 8.92577 12.7188 8.86688 7.38658 8.72704 15.9331 10.5559 7.82475 5.25234 12.5061 numMergedOcc 0
16 mol 100 unq 5 iso 0 dist 8.92577 12.7188 8.86688 7.38658 8.72704 15.9331 11.1947 5.35782 5.03232 12.1093 numMergedOcc 0
17 mol 100 unq 6 iso 0 dist 9.56324 15.1093 6.45675 15.7025 8.72704 7.2495 15.353 7.82475 5.43561 12.5061 numMergedOcc 0
18 mol 100 unq 7 iso 0 dist 9.56324 15.1093 6.45675 15.7025 8.72704 7.2495 12.9628 5.35782 6.30222 12.1093 numMergedOcc 0
19 mol 100 unq 8 iso 0 dist 9.56324 16.8752 7.47343 15.7025 8.72704 10.1589 15.353 7.82475 5.9143 12.5061 numMergedOcc 0
20 mol 100 unq 9 iso 0 dist 9.56324 16.8752 7.47343 15.7025 8.72704 10.1589 12.9628 5.35782 5.47563 12.1093 numMergedOcc 0
21 mol 100 unq 10 iso 0 dist 9.56324 13.0353 8.86688 15.7025 8.72704 15.9331 15.353 7.82475 5.25234 12.5061 numMergedOcc 0
22 mol 100 unq 11 iso 0 dist 9.56324 13.0353 8.86688 15.7025 8.72704 15.9331 12.9628 5.35782 5.03232 12.1093 numMergedOcc 0
23 mol 109 unq 0 iso 0 dist 8.84523 14.7654 8.69985 5.38332 5.87358 9.46098 10.5361 7.07971 4.69373 5.15674 numMergedOcc 0
24 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 7.266 9.66954 6.09023 7.34308 6.39384 6.63111 6.49835 numMergedOcc 0
25 mol 115 unq 1 iso 0 dist 8.97043 11.8721 9.33865 11.6637 7.64585 10.2377 7.34308 6.39384 6.63111 5.65471 numMergedOcc 0
26 mol 115 unq 2 iso 0 dist 8.97043 5.19652 6.11741 7.266 9.66954 4.61908 7.34308 6.39384 6.07067 6.49835 numMergedOcc 0
27 mol 115 unq 3 iso 0 dist 8.97043 5.19652 6.11741 11.6637 7.64585 10.8939 7.34308 6.39384 6.07067 5.65471 numMergedOcc 0
28 mol 117 unq 0 iso 0 dist 7.0318 8.12649 9.84395 5.70073 6.62561 11.3679 7.5937 6.10127 6.57678 6.95589 numMergedOcc 0
29 mol 117 unq 1 iso 0 dist 7.0318 5.21051 7.90328 5.70073 6.62561 4.91401 7.5937 6.10127 10.5783 6.95589 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 7.26771 5.42582 5.41704 4.70162 9.33924 6.95573 6.0991 numMergedOcc 0
31 mol 134 unq 1 iso 0 dist 7.27598 6.50005 6.37586 7.26771 5.42582 5.41704 12.487 7.93372 8.06642 5.67107 numMergedOcc 0
32 mol 134 unq 2 iso 0 dist 7.27598 12.0971 9.71307 7.26771 5.42582 6.17103 4.70162 9.33924 10.2026 6.0991 numMergedOcc 0
33 mol 134 unq 3 iso 0 dist 7.27598 12.0971 9.71307 7.26771 5.42582 6.17103 12.487 7.93372 4.00092 5.67107 numMergedOcc 0
34 mol 142 unq 0 iso 0 dist 9.14908 6.3846 5.31024 11.8956 9.07935 9.49653 9.15345 6.14151 4.67662 5.26247 numMergedOcc 0
35 mol 142 unq 1 iso 0 dist 9.14908 4.39297 7.26382 11.8956 9.07935 7.53854 9.15345 6.14151 5.81599 5.26247 numMergedOcc 0
36 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 7.35206 8.17891 6.43754 5.19262 5.23634 5.0317 4.09934 numMergedOcc 0
37 mol 227 unq 1 iso 0 dist 9.60159 6.38287 7.09863 7.35206 8.17891 9.13836 5.19262 5.23634 5.83175 4.09934 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 7.64276 7.45873 7.31233 13.9044 6.55759 10.4664 4.48114 9.12776 10.3162 15.4844 numMergedOcc 0
39 mol 238 unq 1 iso 0 dist 7.64276 7.45873 7.31233 13.3748 7.02475 11.2717 4.48114 9.12776 10.3162 13.037 numMergedOcc 0
40 mol 238 unq 2 iso 0 dist 7.64276 7.45873 7.31233 11.6924 7.67322 12.6986 4.48114 9.12776 10.3162 9.75095 numMergedOcc 0
41 mol 238 unq 3 iso 0 dist 7.64276 7.45873 7.31233 5.61491 7.19008 5.17471 4.48114 9.12776 10.3162 6.12722 numMergedOcc 0
