0 mol 29 unq 0 iso 0 dist 6.73481 7.7212 9.19374 3.97609 6.04161 4.05918 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 8.34804 12.2427 9.42982 3.77705 6.44825 8.81493 numMergedOcc 0
2 mol 67 unq 1 iso 0 dist 8.34804 7.29309 8.17929 3.77705 6.44825 8.39222 numMergedOcc 0
3 mol 67 unq 2 iso 0 dist 8.34804 4.31746 5.63802 3.77705 6.44825 5.26394 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.09675 8.49877 8.3768 10.2047 7.69222 15.1958 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.09675 8.49877 8.3768 10.8441 5.82056 13.8938 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 8.09675 8.49877 8.3768 15.2203 9.09115 16.4986 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 8.09675 7.25285 8.13535 10.2047 7.69222 13.5897 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 8.09675 7.25285 8.13535 10.8441 5.82056 12.3893 numMergedOcc 0
9 mol 73 unq 5 iso 0 dist 8.09675 7.25285 8.13535 15.2203 9.09115 14.6305 numMergedOcc 0
10 mol 73 unq 6 iso 0 dist 9.02753 4.6403 8.3768 14.0199 7.69222 15.1958 numMergedOcc 0
11 mol 73 unq 7 iso 0 dist 9.02753 4.6403 8.3768 13.7625 5.82056 13.8938 numMergedOcc 0
12 mol 73 unq 8 iso 0 dist 9.02753 4.6403 8.3768 17.5374 9.09115 16.4986 numMergedOcc 0
13 mol 73 unq 9 iso 0 dist 9.02753 5.90782 8.13535 14.0199 7.69222 13.5897 numMergedOcc 0
14 mol 73 unq 10 iso 0 dist 9.02753 5.90782 8.13535 13.7625 5.82056 12.3893 numMergedOcc 0
15 mol 73 unq 11 iso 0 dist 9.02753 5.90782 8.13535 17.5374 9.09115 14.6305 numMergedOcc 0
16 mol 116 unq 0 iso 0 dist 7.67429 5.57288 7.92221 6.67053 8.33185 7.22598 numMergedOcc 0
17 mol 155 unq 0 iso 0 dist 5.16143 5.29099 9.83653 5.05961 5.55218 10.0781 numMergedOcc 0
18 mol 155 unq 1 iso 0 dist 8.08392 15.0233 9.83653 5.68679 5.55218 10.0781 numMergedOcc 0
19 mol 171 unq 0 iso 0 dist 6.20851 4.47323 6.4751 9.12839 9.67711 11.4851 numMergedOcc 0
20 mol 171 unq 1 iso 0 dist 6.20851 4.73373 5.75085 9.12839 9.67711 12.9811 numMergedOcc 0
21 mol 173 unq 0 iso 0 dist 8.84813 15.7288 9.31172 5.21212 6.95244 11.3761 numMergedOcc 0
22 mol 173 unq 1 iso 0 dist 8.84813 15.7288 9.31172 11.2286 6.11224 4.60149 numMergedOcc 0
23 mol 204 unq 0 iso 0 dist 8.40718 15.9432 9.23676 12.5259 5.81438 6.65648 numMergedOcc 0
24 mol 205 unq 0 iso 0 dist 7.55333 4.9739 6.23057 3.69062 6.50586 5.19196 numMergedOcc 0
25 mol 205 unq 1 iso 0 dist 7.84215 4.8012 5.63477 10.0544 6.75579 5.28417 numMergedOcc 0
26 mol 205 unq 2 iso 0 dist 7.97183 3.99238 5.63477 6.96644 6.75579 5.28417 numMergedOcc 0
27 mol 217 unq 0 iso 0 dist 8.80103 10.7793 7.63191 14.0701 8.98494 4.17047 numMergedOcc 0
28 mol 226 unq 0 iso 0 dist 7.54614 5.94294 5.3747 10.2945 8.31266 5.99712 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 9.33791 12.6676 9.54381 3.79641 8.62843 14.1115 numMergedOcc 0
30 mol 273 unq 0 iso 0 dist 9.80002 15.8648 9.57659 10.6534 8.66133 14.3854 numMergedOcc 0
31 mol 273 unq 1 iso 0 dist 9.80002 15.8648 9.57659 15.8245 6.95569 10.292 numMergedOcc 0
32 mol 273 unq 2 iso 0 dist 9.80002 11.6682 7.8424 10.6534 8.66133 9.95392 numMergedOcc 0
33 mol 273 unq 3 iso 0 dist 9.80002 11.6682 7.8424 15.8245 6.95569 12.1867 numMergedOcc 0
34 mol 273 unq 4 iso 0 dist 6.73794 14.6347 9.57659 3.80794 8.66133 14.3854 numMergedOcc 0
35 mol 273 unq 5 iso 0 dist 6.73794 14.6347 9.57659 13.255 6.95569 10.292 numMergedOcc 0
36 mol 273 unq 6 iso 0 dist 6.73794 10.6008 7.8424 3.80794 8.66133 9.95392 numMergedOcc 0
37 mol 273 unq 7 iso 0 dist 6.73794 10.6008 7.8424 13.255 6.95569 12.1867 numMergedOcc 0
38 mol 279 unq 0 iso 0 dist 8.299 6.68035 5.94449 3.7056 5.61134 3.70525 numMergedOcc 0
39 mol 279 unq 1 iso 0 dist 8.299 4.47851 8.61452 3.7056 5.61134 5.61412 numMergedOcc 0
40 mol 279 unq 2 iso 0 dist 8.299 13.5015 7.66302 3.7056 5.61134 11.7578 numMergedOcc 0
41 mol 285 unq 0 iso 0 dist 5.76796 4.39355 6.46935 9.11313 5.49829 7.30779 numMergedOcc 0
42 mol 285 unq 1 iso 0 dist 5.76796 4.39355 6.46935 6.01574 6.24134 4.2225 numMergedOcc 0
