0 mol 0 unq 0 iso 0 dist 6.94181 5.47921 7.15528 12.2644 9.46298 7.40865 numMergedOcc 0
1 mol 7 unq 0 iso 0 dist 7.32392 15.5277 9.60499 11.9168 8.43473 6.02702 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 9.70735 9.40358 9.97507 15.9729 12.1303 7.48342 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 6.28033 5.40044 4.7319 9.9153 6.51133 6.72833 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 20.0654 14.012 9.41441 numMergedOcc 0
5 mol 25 unq 0 iso 0 dist 6.23095 11.5983 6.03987 11.0789 5.68392 6.85556 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 9.22151 4.96681 7.57578 10.2461 9.34396 6.16347 numMergedOcc 0
7 mol 25 unq 2 iso 0 dist 9.22151 4.96681 7.57578 8.00738 6.11127 7.92503 numMergedOcc 0
8 mol 25 unq 3 iso 0 dist 6.22122 4.96681 7.17969 10.2461 10.8498 6.16347 numMergedOcc 0
9 mol 25 unq 4 iso 0 dist 6.22122 4.96681 7.17969 8.00738 5.30154 7.92503 numMergedOcc 0
10 mol 43 unq 0 iso 0 dist 9.17086 5.90113 8.80331 11.9521 6.18002 8.95682 numMergedOcc 0
11 mol 52 unq 0 iso 0 dist 7.70026 13.9113 7.34143 11.7865 6.66056 6.31696 numMergedOcc 0
12 mol 54 unq 0 iso 0 dist 6.54183 5.65405 8.10861 8.60653 5.99981 7.21717 numMergedOcc 0
13 mol 61 unq 0 iso 0 dist 9.70415 5.46309 6.65721 5.67362 13.5488 9.25641 numMergedOcc 0
14 mol 72 unq 0 iso 0 dist 6.7212 11.6369 9.96708 16.4419 11.6378 9.27838 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 8.124 13.4367 6.19304 13.2119 6.56633 9.24757 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 8.16299 10.3774 8.70481 14.1293 15.3808 9.24757 numMergedOcc 0
17 mol 73 unq 2 iso 0 dist 8.27015 12.6626 8.70481 21.4221 15.3808 9.24757 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 6.56728 11.609 7.47541 17.8623 13.5116 9.82915 numMergedOcc 0
19 mol 85 unq 1 iso 0 dist 6.56728 13.5384 7.66905 9.51674 4.65335 7.54568 numMergedOcc 0
20 mol 85 unq 2 iso 0 dist 6.56728 5.29763 5.73196 9.51674 4.65335 9.39864 numMergedOcc 0
21 mol 98 unq 0 iso 0 dist 8.05602 12.0507 5.08437 13.251 7.06961 6.7117 numMergedOcc 0
22 mol 98 unq 1 iso 0 dist 8.05602 12.0339 6.10456 13.251 7.06961 4.47349 numMergedOcc 0
23 mol 100 unq 0 iso 0 dist 8.92577 12.0555 7.47343 15.5006 12.2861 8.30845 numMergedOcc 0
24 mol 100 unq 1 iso 0 dist 8.92577 12.0555 7.47343 20.027 15.5385 8.76378 numMergedOcc 0
25 mol 100 unq 2 iso 0 dist 9.56324 16.8752 7.47343 21.1917 12.2861 8.30845 numMergedOcc 0
26 mol 100 unq 3 iso 0 dist 9.56324 16.8752 7.47343 24.0706 15.5385 8.76378 numMergedOcc 0
27 mol 100 unq 4 iso 0 dist 8.96916 5.92158 6.45675 12.1601 7.11701 7.38135 numMergedOcc 0
28 mol 100 unq 5 iso 0 dist 5.70279 5.92158 7.47343 12.1601 11.2312 7.38135 numMergedOcc 0
29 mol 102 unq 0 iso 0 dist 9.84673 5.09542 7.36792 11.4976 7.42011 8.31932 numMergedOcc 0
30 mol 115 unq 0 iso 0 dist 6.55511 5.47689 5.11551 10.0041 6.77806 6.92026 numMergedOcc 0
31 mol 115 unq 1 iso 0 dist 6.55511 6.00348 7.11972 10.0041 6.77806 5.88249 numMergedOcc 0
32 mol 115 unq 2 iso 0 dist 8.46684 5.14332 6.90986 5.9575 5.31484 5.88249 numMergedOcc 0
33 mol 115 unq 3 iso 0 dist 8.46684 5.28643 5.39945 5.9575 5.31484 6.97707 numMergedOcc 0
34 mol 119 unq 0 iso 0 dist 8.88255 10.5726 8.73993 14.0057 7.20179 6.52773 numMergedOcc 0
35 mol 119 unq 1 iso 0 dist 8.88255 10.5726 8.73993 8.61574 9.89358 9.23858 numMergedOcc 0
36 mol 129 unq 0 iso 0 dist 6.23966 6.65856 5.83384 15.008 10.7293 9.36851 numMergedOcc 0
37 mol 129 unq 1 iso 0 dist 6.23966 6.65856 5.83384 11.0726 7.29399 4.97175 numMergedOcc 0
38 mol 131 unq 0 iso 0 dist 9.33945 12.3624 8.40312 12.7271 7.7567 9.90168 numMergedOcc 0
39 mol 131 unq 1 iso 0 dist 8.99949 11.3502 6.85062 20.1653 13.7237 9.90168 numMergedOcc 0
40 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 9.95528 5.29786 6.23142 numMergedOcc 0
41 mol 134 unq 1 iso 0 dist 7.27598 12.0971 9.71307 9.95528 5.29786 9.94764 numMergedOcc 0
42 mol 134 unq 2 iso 0 dist 5.57904 7.41837 6.54501 9.95528 5.71679 7.69991 numMergedOcc 0
43 mol 134 unq 3 iso 0 dist 5.57904 6.50005 6.49416 9.95528 5.71679 6.23142 numMergedOcc 0
44 mol 156 unq 0 iso 0 dist 9.19499 5.66289 7.44554 10.6749 5.71511 9.4013 numMergedOcc 0
45 mol 156 unq 1 iso 0 dist 7.11647 5.66289 8.94056 10.6749 6.13574 9.4013 numMergedOcc 0
46 mol 156 unq 2 iso 0 dist 9.68507 9.75709 7.66148 6.40435 6.03934 7.90267 numMergedOcc 0
47 mol 156 unq 3 iso 0 dist 7.98018 4.68187 9.83699 9.82618 5.80008 9.4013 numMergedOcc 0
48 mol 181 unq 0 iso 0 dist 8.90247 5.114 9.1374 9.99409 8.91338 8.90963 numMergedOcc 0
49 mol 181 unq 1 iso 0 dist 8.90247 14.0828 8.03334 11.3392 4.43096 6.46704 numMergedOcc 0
50 mol 181 unq 2 iso 0 dist 8.90247 14.0828 8.03334 13.656 8.04639 6.59025 numMergedOcc 0
51 mol 186 unq 0 iso 0 dist 5.16813 5.87924 9.70748 5.77158 5.4141 7.66165 numMergedOcc 0
52 mol 186 unq 1 iso 0 dist 5.16813 8.61343 7.54065 12.0848 11.7429 8.73217 numMergedOcc 0
53 mol 205 unq 0 iso 0 dist 6.15806 10.6362 7.26832 16.5371 12.4957 6.03688 numMergedOcc 0
54 mol 220 unq 0 iso 0 dist 6.21273 5.1021 9.23153 7.58118 7.11498 6.59716 numMergedOcc 0
55 mol 222 unq 0 iso 0 dist 8.7419 5.01062 6.00706 13.4892 7.75466 9.07471 numMergedOcc 0
56 mol 222 unq 1 iso 0 dist 8.5834 5.01062 7.54212 13.4892 13.3447 9.07471 numMergedOcc 0
57 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 11.9075 6.35849 7.43071 numMergedOcc 0
58 mol 227 unq 1 iso 0 dist 9.60159 7.51316 7.22101 11.7218 10.9607 5.41321 numMergedOcc 0
59 mol 227 unq 2 iso 0 dist 9.60159 6.38287 7.09863 11.9075 6.35849 6.02296 numMergedOcc 0
60 mol 227 unq 3 iso 0 dist 7.71761 5.841 7.55216 11.6367 9.32448 7.43071 numMergedOcc 0
61 mol 227 unq 4 iso 0 dist 7.71761 5.841 7.55216 6.65275 6.48027 5.41321 numMergedOcc 0
62 mol 231 unq 0 iso 0 dist 8.91036 10.613 7.37839 10.7108 9.0443 7.79066 numMergedOcc 0
63 mol 232 unq 0 iso 0 dist 9.95045 12.5761 8.27212 11.8822 4.9377 9.40808 numMergedOcc 0
64 mol 239 unq 0 iso 0 dist 6.83046 4.77446 6.16342 10.3104 4.30299 8.84636 numMergedOcc 0
65 mol 258 unq 0 iso 0 dist 8.44862 10.4505 6.97229 10.5461 6.7919 7.6595 numMergedOcc 0
66 mol 258 unq 1 iso 0 dist 8.9706 5.70285 6.60405 11.8123 5.63675 7.21311 numMergedOcc 0
67 mol 261 unq 0 iso 0 dist 9.95681 5.79827 8.02547 12.8946 5.91643 8.43974 numMergedOcc 0
68 mol 261 unq 1 iso 0 dist 9.05762 5.79827 6.05727 12.8946 5.02383 8.43974 numMergedOcc 0
