0 mol 7 unq 0 iso 0 dist 7.15434 11.2706 7.10621 8.75346 9.67164 13.156 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 6.4754 7.06064 9.62879 4.67793 9.01112 7.12261 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 6.57999 7.35767 9.62879 11.5556 9.01112 7.12261 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 6.28033 5.40044 4.7319 6.64634 7.65889 6.86055 numMergedOcc 0
4 mol 18 unq 0 iso 0 dist 6.39243 15.2831 9.51761 4.95319 5.65084 12.6536 numMergedOcc 0
5 mol 18 unq 1 iso 0 dist 6.39243 9.30561 7.3094 4.95319 5.65084 9.36767 numMergedOcc 0
6 mol 18 unq 2 iso 0 dist 9.1715 17.8306 9.51761 6.19959 5.65084 12.6536 numMergedOcc 0
7 mol 18 unq 3 iso 0 dist 9.1715 14.3582 7.3094 6.19959 5.65084 9.36767 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 12.0268 8.09311 11.6226 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 8.20058 16.6906 8.86116 9.10781 9.05357 13.1949 numMergedOcc 0
10 mol 24 unq 2 iso 0 dist 8.20058 14.9411 8.38394 12.0268 8.09311 6.17155 numMergedOcc 0
11 mol 24 unq 3 iso 0 dist 8.20058 14.9411 8.38394 9.10781 9.05357 10.3122 numMergedOcc 0
12 mol 25 unq 0 iso 0 dist 6.23095 10.747 7.31767 11.9503 7.6114 6.10919 numMergedOcc 0
13 mol 25 unq 1 iso 0 dist 6.23095 11.5983 6.03987 11.9503 7.6114 5.86705 numMergedOcc 0
14 mol 43 unq 0 iso 0 dist 9.17086 5.90113 8.80331 4.9903 6.6263 5.41726 numMergedOcc 0
15 mol 56 unq 0 iso 0 dist 8.96238 7.43826 8.66265 12.9131 9.03564 6.75591 numMergedOcc 0
16 mol 72 unq 0 iso 0 dist 6.68311 8.1124 8.8178 8.89611 7.12321 4.27726 numMergedOcc 0
17 mol 72 unq 1 iso 0 dist 6.68311 15.0607 9.96708 8.89611 7.12321 7.47371 numMergedOcc 0
18 mol 72 unq 2 iso 0 dist 6.7212 11.6369 9.96708 11.1406 9.55118 5.69391 numMergedOcc 0
19 mol 72 unq 3 iso 0 dist 6.7212 11.6369 9.96708 8.28664 9.10345 13.4212 numMergedOcc 0
20 mol 72 unq 4 iso 0 dist 6.7212 6.12361 9.78528 11.1406 9.55118 9.78221 numMergedOcc 0
21 mol 72 unq 5 iso 0 dist 6.7212 6.12361 9.78528 8.28664 9.10345 11.6634 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 15.7072 8.68662 6.20232 numMergedOcc 0
23 mol 73 unq 1 iso 0 dist 8.124 13.4367 6.19304 15.2252 7.4369 5.70116 numMergedOcc 0
24 mol 73 unq 2 iso 0 dist 8.16299 10.3774 8.70481 6.52486 5.5087 11.2069 numMergedOcc 0
25 mol 73 unq 3 iso 0 dist 8.16299 10.3774 8.70481 10.9731 6.08682 10.6713 numMergedOcc 0
26 mol 73 unq 4 iso 0 dist 8.27015 12.6626 8.70481 13.0059 5.5087 11.2069 numMergedOcc 0
27 mol 73 unq 5 iso 0 dist 8.27015 12.6626 8.70481 14.1533 6.08682 10.6713 numMergedOcc 0
28 mol 86 unq 0 iso 0 dist 8.40609 9.54732 9.5497 4.74546 7.90423 6.98209 numMergedOcc 0
29 mol 100 unq 0 iso 0 dist 8.22596 5.11615 8.87449 12.9651 9.90751 9.72773 numMergedOcc 0
30 mol 100 unq 1 iso 0 dist 8.22596 5.11615 8.87449 13.0711 9.21662 9.39125 numMergedOcc 0
31 mol 100 unq 2 iso 0 dist 8.92577 6.89293 6.45675 10.5559 7.82475 5.43561 numMergedOcc 0
32 mol 100 unq 3 iso 0 dist 8.92577 6.89293 6.45675 11.1947 5.35782 6.30222 numMergedOcc 0
33 mol 100 unq 4 iso 0 dist 8.92577 12.0555 7.47343 10.5559 7.82475 5.9143 numMergedOcc 0
34 mol 100 unq 5 iso 0 dist 8.92577 12.0555 7.47343 11.1947 5.35782 5.47563 numMergedOcc 0
35 mol 100 unq 6 iso 0 dist 8.92577 12.7188 8.86688 10.5559 7.82475 5.25234 numMergedOcc 0
36 mol 100 unq 7 iso 0 dist 8.92577 12.7188 8.86688 11.1947 5.35782 5.03232 numMergedOcc 0
37 mol 100 unq 8 iso 0 dist 9.56324 15.1093 6.45675 15.353 7.82475 5.43561 numMergedOcc 0
38 mol 100 unq 9 iso 0 dist 9.56324 15.1093 6.45675 12.9628 5.35782 6.30222 numMergedOcc 0
39 mol 100 unq 10 iso 0 dist 9.56324 16.8752 7.47343 15.353 7.82475 5.9143 numMergedOcc 0
40 mol 100 unq 11 iso 0 dist 9.56324 16.8752 7.47343 12.9628 5.35782 5.47563 numMergedOcc 0
41 mol 100 unq 12 iso 0 dist 9.56324 13.0353 8.86688 15.353 7.82475 5.25234 numMergedOcc 0
42 mol 100 unq 13 iso 0 dist 9.56324 13.0353 8.86688 12.9628 5.35782 5.03232 numMergedOcc 0
43 mol 109 unq 0 iso 0 dist 7.51061 5.29855 7.34473 6.98893 6.29161 6.73011 numMergedOcc 0
44 mol 109 unq 1 iso 0 dist 7.51061 5.29855 7.34473 11.231 7.86666 13.0886 numMergedOcc 0
45 mol 109 unq 2 iso 0 dist 8.84523 14.7654 8.69985 10.5361 7.07971 4.69373 numMergedOcc 0
46 mol 113 unq 0 iso 0 dist 9.08014 7.41343 5.86073 9.3549 8.80934 5.70579 numMergedOcc 0
47 mol 115 unq 0 iso 0 dist 8.97043 11.8721 9.33865 7.34308 6.39384 6.63111 numMergedOcc 0
48 mol 115 unq 1 iso 0 dist 8.97043 5.19652 6.11741 7.34308 6.39384 6.07067 numMergedOcc 0
49 mol 117 unq 0 iso 0 dist 7.0318 8.12649 9.84395 7.5937 6.10127 6.57678 numMergedOcc 0
50 mol 117 unq 1 iso 0 dist 7.0318 5.21051 7.90328 7.5937 6.10127 10.5783 numMergedOcc 0
51 mol 119 unq 0 iso 0 dist 8.62648 4.6251 8.73993 12.6962 7.64052 9.68677 numMergedOcc 0
52 mol 131 unq 0 iso 0 dist 9.33945 12.3624 8.40312 9.88758 9.27976 3.98662 numMergedOcc 0
53 mol 133 unq 0 iso 0 dist 9.79004 10.0277 7.24514 5.37122 8.26547 5.03174 numMergedOcc 0
54 mol 133 unq 1 iso 0 dist 9.79004 7.33132 8.22656 5.37122 8.26547 4.88025 numMergedOcc 0
55 mol 133 unq 2 iso 0 dist 8.43069 7.33132 6.82262 5.37122 9.05342 4.88025 numMergedOcc 0
56 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 4.70162 9.33924 6.95573 numMergedOcc 0
57 mol 134 unq 1 iso 0 dist 7.27598 6.50005 6.37586 12.487 7.93372 8.06642 numMergedOcc 0
58 mol 134 unq 2 iso 0 dist 7.27598 12.0971 9.71307 4.70162 9.33924 10.2026 numMergedOcc 0
59 mol 134 unq 3 iso 0 dist 7.27598 12.0971 9.71307 12.487 7.93372 4.00092 numMergedOcc 0
60 mol 142 unq 0 iso 0 dist 9.14908 6.3846 5.31024 9.15345 6.14151 4.67662 numMergedOcc 0
61 mol 142 unq 1 iso 0 dist 9.14908 4.39297 7.26382 9.15345 6.14151 5.81599 numMergedOcc 0
62 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 11.9701 9.76212 12.9532 numMergedOcc 0
63 mol 181 unq 1 iso 0 dist 8.90247 14.0828 8.03334 11.9701 9.76212 6.50233 numMergedOcc 0
64 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 5.19262 5.23634 5.0317 numMergedOcc 0
65 mol 227 unq 1 iso 0 dist 9.60159 6.38287 7.09863 5.19262 5.23634 5.83175 numMergedOcc 0
66 mol 232 unq 0 iso 0 dist 9.95045 12.5761 8.27212 13.3209 6.71524 5.10213 numMergedOcc 0
67 mol 238 unq 0 iso 0 dist 7.64276 7.45873 7.31233 4.48114 9.12776 10.3162 numMergedOcc 0
68 mol 239 unq 0 iso 0 dist 6.83046 4.77446 6.16342 8.15025 6.73665 10.6736 numMergedOcc 0
69 mol 264 unq 0 iso 0 dist 6.8902 12.3593 9.17653 9.58347 8.29262 10.7813 numMergedOcc 0
