0 mol 43 unq 0 iso 0 dist 8.21247 5.39546 6.6263 15.2071 8.34145 10.8828 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.21247 12.2906 6.75943 15.2071 8.34145 5.07458 numMergedOcc 0
2 mol 53 unq 0 iso 0 dist 5.63499 5.55291 7.28228 7.73958 5.40489 5.46827 numMergedOcc 0
3 mol 76 unq 0 iso 0 dist 9.73179 4.80624 6.72869 5.34337 9.59729 5.31985 numMergedOcc 0
4 mol 76 unq 1 iso 0 dist 9.73179 14.1154 9.85905 5.34337 9.59729 15.4159 numMergedOcc 0
5 mol 76 unq 2 iso 0 dist 6.55112 8.73236 8.13108 6.38237 9.59729 13.5024 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 6.6536 10.8268 7.7988 8.8974 6.96745 11.0625 numMergedOcc 0
7 mol 112 unq 1 iso 0 dist 6.6536 11.179 9.40824 8.8974 6.96745 14.5726 numMergedOcc 0
8 mol 112 unq 2 iso 0 dist 6.6536 4.87668 4.22363 8.8974 6.96745 9.05551 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 8.89346 9.42084 7.22643 4.72614 7.48208 4.88025 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 4.73115 5.57177 5.35237 6.98491 5.78982 5.4761 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 4.73115 10.8108 7.99477 6.98491 5.78982 5.03507 numMergedOcc 0
12 mol 170 unq 0 iso 0 dist 9.66676 11.4871 9.08274 5.03109 8.75024 6.86812 numMergedOcc 0
13 mol 170 unq 1 iso 0 dist 9.66676 6.45787 9.51256 5.03109 8.75024 5.7304 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 5.97971 10.8374 9.01624 8.70425 9.92831 5.42158 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 5.97971 4.62576 5.05973 8.70425 9.92831 10.0773 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 8.72747 11.9541 9.01624 8.28396 9.92831 5.42158 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 8.72747 4.80932 5.05973 8.28396 9.92831 10.0773 numMergedOcc 0
18 mol 181 unq 4 iso 0 dist 8.23845 8.672 9.01624 4.60202 9.92831 5.42158 numMergedOcc 0
19 mol 181 unq 5 iso 0 dist 8.23845 6.42223 5.05973 4.60202 9.92831 10.0773 numMergedOcc 0
20 mol 197 unq 0 iso 0 dist 7.86042 7.17757 9.10817 3.35829 6.69042 9.61454 numMergedOcc 0
21 mol 197 unq 1 iso 0 dist 7.86042 5.75906 6.86828 3.35829 6.69042 7.59871 numMergedOcc 0
22 mol 198 unq 0 iso 0 dist 9.40433 9.33462 9.31526 4.58443 9.91727 12.1607 numMergedOcc 0
23 mol 205 unq 0 iso 0 dist 8.92597 7.22201 7.21137 10.023 5.03818 4.3093 numMergedOcc 0
24 mol 205 unq 1 iso 0 dist 8.92597 7.22201 7.21137 6.22981 6.40171 7.94891 numMergedOcc 0
25 mol 205 unq 2 iso 0 dist 8.92597 12.3312 8.4844 10.023 5.03818 8.90569 numMergedOcc 0
26 mol 205 unq 3 iso 0 dist 8.92597 12.3312 8.4844 6.22981 6.40171 6.37317 numMergedOcc 0
27 mol 205 unq 4 iso 0 dist 7.53734 13.6728 7.21137 10.1222 5.03818 4.3093 numMergedOcc 0
28 mol 205 unq 5 iso 0 dist 7.53734 13.6728 7.21137 10.4922 6.40171 7.94891 numMergedOcc 0
29 mol 205 unq 6 iso 0 dist 7.53734 7.78052 8.4844 10.1222 5.03818 8.90569 numMergedOcc 0
30 mol 205 unq 7 iso 0 dist 7.53734 7.78052 8.4844 10.4922 6.40171 6.37317 numMergedOcc 0
31 mol 205 unq 8 iso 0 dist 9.79826 14.1866 7.21137 9.99561 5.03818 4.3093 numMergedOcc 0
32 mol 205 unq 9 iso 0 dist 9.79826 14.1866 7.21137 15.2328 6.40171 7.94891 numMergedOcc 0
33 mol 205 unq 10 iso 0 dist 9.79826 13.0749 8.4844 9.99561 5.03818 8.90569 numMergedOcc 0
34 mol 205 unq 11 iso 0 dist 9.79826 13.0749 8.4844 15.2328 6.40171 6.37317 numMergedOcc 0
35 mol 206 unq 0 iso 0 dist 8.43994 4.88904 9.21377 7.9981 9.95026 5.14674 numMergedOcc 0
36 mol 222 unq 0 iso 0 dist 7.99441 9.84386 5.56538 6.4817 8.14294 8.34852 numMergedOcc 0
37 mol 222 unq 1 iso 0 dist 6.71817 9.84386 7.48954 6.4817 5.72 8.34852 numMergedOcc 0
38 mol 225 unq 0 iso 0 dist 8.69052 10.3976 8.14831 12.7959 6.46405 6.28241 numMergedOcc 0
39 mol 238 unq 0 iso 0 dist 5.52788 10.313 9.12776 4.70535 4.66186 5.71717 numMergedOcc 0
40 mol 238 unq 1 iso 0 dist 5.52788 7.04671 9.72188 4.70535 4.66186 10.4706 numMergedOcc 0
41 mol 251 unq 0 iso 0 dist 9.65275 10.1306 9.82601 4.66259 9.02417 13.28 numMergedOcc 0
42 mol 251 unq 1 iso 0 dist 9.65275 10.2078 6.50357 4.66259 9.02417 11.5298 numMergedOcc 0
43 mol 292 unq 0 iso 0 dist 8.67283 11.1808 9.9886 5.90311 7.89938 6.73772 numMergedOcc 0
