0 mol 25 unq 0 iso 0 dist 9.94577 9.36442 4.79873 12.0204 7.44277 5.63212 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.03914 12.1132 6.66407 7.70908 9.50614 11.4153 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.03914 12.1132 6.66407 15.2015 8.34145 4.96926 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 9.04174 9.97169 6.66407 5.20386 9.50614 11.4153 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 9.04174 9.97169 6.66407 9.28401 8.34145 4.96926 numMergedOcc 0
5 mol 43 unq 4 iso 0 dist 9.23033 6.6796 6.6263 9.74667 8.34145 10.8828 numMergedOcc 0
6 mol 43 unq 5 iso 0 dist 9.23033 10.2523 6.75943 9.74667 8.34145 5.07458 numMergedOcc 0
7 mol 53 unq 0 iso 0 dist 9.31516 14.9509 7.28228 10.8961 5.40489 5.46827 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 7.91605 6.71593 5.5087 4.19129 8.46627 6.41115 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 7.91605 5.72472 5.61588 4.19129 8.46627 5.9144 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 6.43707 6.71593 6.08682 4.19129 9.22208 6.41115 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 6.43707 5.72472 7.83244 4.19129 9.22208 5.9144 numMergedOcc 0
12 mol 76 unq 0 iso 0 dist 9.3711 14.388 8.23026 12.2676 9.08825 6.46372 numMergedOcc 0
13 mol 105 unq 0 iso 0 dist 9.11206 7.16724 9.16718 5.01159 9.17843 4.4598 numMergedOcc 0
14 mol 105 unq 1 iso 0 dist 9.11206 7.70748 7.94633 5.01159 9.17843 8.50101 numMergedOcc 0
15 mol 112 unq 0 iso 0 dist 9.58666 6.64056 7.7988 14.9788 6.96745 11.0625 numMergedOcc 0
16 mol 112 unq 1 iso 0 dist 9.58666 6.29647 9.40824 14.9788 6.96745 14.5726 numMergedOcc 0
17 mol 112 unq 2 iso 0 dist 9.58666 9.6717 4.22363 14.9788 6.96745 9.05551 numMergedOcc 0
18 mol 127 unq 0 iso 0 dist 9.17001 11.1351 7.79505 13.5387 9.97028 7.58649 numMergedOcc 0
19 mol 127 unq 1 iso 0 dist 9.17001 6.08871 7.36199 13.5387 9.97028 7.60948 numMergedOcc 0
20 mol 130 unq 0 iso 0 dist 6.98077 5.50335 6.93139 10.3696 7.5573 7.21225 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 5.44814 5.4432 5.37047 12.4579 9.29944 7.39837 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 9.95076 8.35998 7.37333 5.09521 9.43904 5.65603 numMergedOcc 0
23 mol 162 unq 1 iso 0 dist 7.76112 8.35998 7.45998 5.09521 7.01095 5.65603 numMergedOcc 0
24 mol 170 unq 0 iso 0 dist 8.95292 8.83341 9.08274 13.0899 8.75024 6.86812 numMergedOcc 0
25 mol 170 unq 1 iso 0 dist 8.95292 11.2005 9.51256 13.0899 8.75024 5.7304 numMergedOcc 0
26 mol 178 unq 0 iso 0 dist 6.95432 12.2822 7.06025 6.12844 7.86352 10.8974 numMergedOcc 0
27 mol 186 unq 0 iso 0 dist 9.82338 9.653 8.90571 9.33116 8.5672 5.75483 numMergedOcc 0
28 mol 186 unq 1 iso 0 dist 9.82338 10.568 6.61112 9.33116 8.5672 10.8286 numMergedOcc 0
29 mol 207 unq 0 iso 0 dist 8.72885 6.93784 5.12567 5.08264 4.76113 4.56899 numMergedOcc 0
30 mol 222 unq 0 iso 0 dist 5.07975 5.66819 5.56538 6.84149 8.14294 8.34852 numMergedOcc 0
31 mol 222 unq 1 iso 0 dist 4.85015 5.66819 7.48954 6.84149 5.72 8.34852 numMergedOcc 0
32 mol 235 unq 0 iso 0 dist 8.31344 15.2767 8.19317 13.0354 6.03081 9.72447 numMergedOcc 0
33 mol 235 unq 1 iso 0 dist 8.31344 15.2767 8.19317 10.4953 7.41433 12.983 numMergedOcc 0
34 mol 235 unq 2 iso 0 dist 8.31344 11.9322 5.1823 13.0354 6.03081 4.21867 numMergedOcc 0
35 mol 235 unq 3 iso 0 dist 8.31344 11.9322 5.1823 10.4953 7.41433 5.88852 numMergedOcc 0
36 mol 243 unq 0 iso 0 dist 8.07313 5.14134 8.69318 8.17555 8.30024 10.2068 numMergedOcc 0
37 mol 243 unq 1 iso 0 dist 8.07313 5.14134 8.69318 7.40657 8.20943 5.74165 numMergedOcc 0
38 mol 273 unq 0 iso 0 dist 5.63226 9.45651 6.31969 5.35498 9.02537 10.2693 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 6.79765 9.91235 9.74118 6.37045 6.22943 5.94 numMergedOcc 0
40 mol 292 unq 1 iso 0 dist 6.79765 9.91235 9.74118 11.9688 9.31056 9.18492 numMergedOcc 0
41 mol 292 unq 2 iso 0 dist 6.13272 12.9146 9.46442 6.37045 9.23612 17.5073 numMergedOcc 0
