0 mol 7 unq 0 iso 0 dist 7.32392 15.5277 9.60499 11.9168 8.43473 6.02702 10.5485 11.0773 11.8172 8.72114 numMergedOcc 0
1 mol 15 unq 0 iso 0 dist 9.70735 9.40358 9.97507 15.9729 12.1303 7.48342 20.643 18.3783 11.7498 6.42748 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 6.28033 5.40044 4.7319 9.9153 6.51133 6.72833 11.5215 11.6856 10.4852 6.93532 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 8.20058 16.6906 8.86116 20.0654 14.012 9.41441 17.0327 13.2433 11.4989 6.73939 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 9.22151 4.96681 7.57578 10.2461 9.34396 6.16347 12.2441 12.7009 10.9391 7.45383 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 9.22151 4.96681 7.57578 8.00738 6.11127 7.92503 11.2749 13.7311 10.6808 8.6653 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 6.22122 4.96681 7.17969 10.2461 10.8498 6.16347 12.2441 12.8117 10.9391 7.45383 numMergedOcc 0
7 mol 25 unq 3 iso 0 dist 6.22122 4.96681 7.17969 8.00738 5.30154 7.92503 11.2749 12.9968 10.6808 8.6653 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 6.56728 13.5384 7.66905 9.51674 4.65335 7.54568 5.29763 5.73196 10.1164 9.39864 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 6.56728 5.29763 5.73196 9.51674 4.65335 9.39864 13.5384 7.66905 10.1164 7.54568 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 8.05602 12.0507 5.08437 13.251 7.06961 6.7117 12.0339 6.10456 8.40073 4.47349 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 8.05602 12.0507 5.08437 13.251 7.06961 6.7117 16.9512 10.1136 10.2427 5.65185 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 8.05602 12.0339 6.10456 13.251 7.06961 4.47349 12.0507 5.08437 8.40073 6.7117 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 8.05602 12.0339 6.10456 13.251 7.06961 4.47349 16.9512 10.1136 5.02887 5.65185 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 8.92577 12.0555 7.47343 15.5006 12.2861 8.30845 13.0951 12.0662 5.88134 7.01812 numMergedOcc 0
15 mol 100 unq 1 iso 0 dist 9.56324 16.8752 7.47343 21.1917 12.2861 8.30845 21.5364 12.0662 5.88134 7.01812 numMergedOcc 0
16 mol 115 unq 0 iso 0 dist 6.55511 5.47689 5.11551 10.0041 6.77806 6.92026 6.00348 7.11972 6.5838 5.88249 numMergedOcc 0
17 mol 115 unq 1 iso 0 dist 6.55511 5.47689 5.11551 10.0041 6.77806 6.92026 11.3303 11.8863 10.5564 6.97707 numMergedOcc 0
18 mol 115 unq 2 iso 0 dist 6.55511 6.00348 7.11972 10.0041 6.77806 5.88249 5.47689 5.11551 6.5838 6.92026 numMergedOcc 0
19 mol 115 unq 3 iso 0 dist 6.55511 6.00348 7.11972 10.0041 6.77806 5.88249 11.3303 11.8863 5.67807 6.97707 numMergedOcc 0
20 mol 115 unq 4 iso 0 dist 8.46684 5.14332 6.90986 5.9575 5.31484 5.88249 6.23018 11.4095 6.5838 6.92026 numMergedOcc 0
21 mol 115 unq 5 iso 0 dist 8.46684 5.14332 6.90986 5.9575 5.31484 5.88249 5.28643 5.39945 5.67807 6.97707 numMergedOcc 0
22 mol 115 unq 6 iso 0 dist 8.46684 5.28643 5.39945 5.9575 5.31484 6.97707 6.23018 11.4095 10.5564 6.92026 numMergedOcc 0
23 mol 115 unq 7 iso 0 dist 8.46684 5.28643 5.39945 5.9575 5.31484 6.97707 5.14332 6.90986 5.67807 5.88249 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 8.88255 10.5726 8.73993 14.0057 7.20179 6.52773 10.6442 10.3704 4.85907 9.11344 numMergedOcc 0
25 mol 134 unq 0 iso 0 dist 7.27598 6.50005 6.37586 9.95528 5.29786 6.23142 7.41837 9.5126 5.00526 7.69991 numMergedOcc 0
26 mol 134 unq 1 iso 0 dist 7.27598 6.50005 6.37586 9.95528 5.29786 6.23142 12.0971 9.71307 6.81259 9.94764 numMergedOcc 0
27 mol 134 unq 2 iso 0 dist 7.27598 12.0971 9.71307 9.95528 5.29786 9.94764 7.41837 9.5126 11.3271 7.69991 numMergedOcc 0
28 mol 134 unq 3 iso 0 dist 7.27598 12.0971 9.71307 9.95528 5.29786 9.94764 6.50005 6.37586 6.81259 6.23142 numMergedOcc 0
29 mol 134 unq 4 iso 0 dist 5.57904 7.41837 6.54501 9.95528 5.71679 7.69991 6.50005 6.49416 5.00526 6.23142 numMergedOcc 0
30 mol 134 unq 5 iso 0 dist 5.57904 7.41837 6.54501 9.95528 5.71679 7.69991 12.0971 12.5075 11.3271 9.94764 numMergedOcc 0
31 mol 134 unq 6 iso 0 dist 5.57904 6.50005 6.49416 9.95528 5.71679 6.23142 7.41837 6.54501 5.00526 7.69991 numMergedOcc 0
32 mol 134 unq 7 iso 0 dist 5.57904 6.50005 6.49416 9.95528 5.71679 6.23142 12.0971 12.5075 6.81259 9.94764 numMergedOcc 0
33 mol 156 unq 0 iso 0 dist 9.68507 9.75709 7.66148 6.40435 6.03934 7.90267 11.0374 12.0598 5.56175 9.44367 numMergedOcc 0
34 mol 186 unq 0 iso 0 dist 5.16813 8.61343 7.54065 12.0848 11.7429 8.73217 14.4149 16.3985 14.5862 7.76163 numMergedOcc 0
35 mol 227 unq 0 iso 0 dist 9.60159 7.51316 7.22101 11.9075 6.35849 7.43071 6.38287 7.09863 4.39704 6.02296 numMergedOcc 0
36 mol 227 unq 1 iso 0 dist 9.60159 6.38287 7.09863 11.9075 6.35849 6.02296 7.51316 7.22101 4.39704 7.43071 numMergedOcc 0
37 mol 227 unq 2 iso 0 dist 7.71761 5.841 7.55216 11.6367 9.32448 7.43071 7.74349 10.0334 4.39704 6.02296 numMergedOcc 0
38 mol 232 unq 0 iso 0 dist 9.95045 12.5761 8.27212 11.8822 4.9377 9.40808 16.5322 10.5803 6.56633 8.50102 numMergedOcc 0
39 mol 258 unq 0 iso 0 dist 8.9706 5.70285 6.60405 11.8123 5.63675 7.21311 13.2762 10.5548 12.321 9.63959 numMergedOcc 0
40 mol 258 unq 1 iso 0 dist 8.9706 5.70285 6.60405 11.8123 5.63675 7.21311 14.678 14.3043 10.7374 9.96262 numMergedOcc 0
