0 mol 53 unq 0 iso 0 dist 9.33754 7.45484 9.31516 10.8317 7.88793 5.40748 numMergedOcc 0
1 mol 79 unq 0 iso 0 dist 8.71103 3.45432 8.0318 7.74131 9.0655 7.58743 numMergedOcc 0
2 mol 89 unq 0 iso 0 dist 7.24906 9.35696 8.68698 10.6165 4.93796 7.55644 numMergedOcc 0
3 mol 108 unq 0 iso 0 dist 6.46069 6.42713 5.60118 14.4539 9.40297 9.14068 numMergedOcc 0
4 mol 108 unq 1 iso 0 dist 6.46069 6.42713 5.60118 9.62124 5.53105 7.90433 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 9.2167 3.74723 6.39945 11.0787 10.872 9.10803 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 6.67306 3.74723 7.14258 11.0787 12.1048 9.10803 numMergedOcc 0
7 mol 139 unq 0 iso 0 dist 9.99665 11.247 9.07404 14.573 7.41954 7.02063 numMergedOcc 0
8 mol 139 unq 1 iso 0 dist 8.27507 4.37138 9.07404 8.49892 7.41954 7.02063 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 9.22427 13.5761 8.3656 15.2434 6.24447 7.55497 numMergedOcc 0
10 mol 150 unq 0 iso 0 dist 9.32504 13.6344 8.44633 15.2603 6.17821 7.62236 numMergedOcc 0
11 mol 192 unq 0 iso 0 dist 7.252 3.81315 7.578 7.95713 12.9121 8.8637 numMergedOcc 0
12 mol 219 unq 0 iso 0 dist 9.52151 7.79138 8.38773 11.9439 6.90398 6.52136 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 8.97523 8.51677 9.0735 8.31651 6.31615 9.49163 numMergedOcc 0
14 mol 225 unq 1 iso 0 dist 8.97523 8.51677 9.0735 11.6816 7.70265 9.99149 numMergedOcc 0
15 mol 235 unq 0 iso 0 dist 6.71398 6.08388 5.38046 9.47876 4.26151 5.39924 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 9.46728 5.17342 8.28643 9.51177 15.2081 6.96382 numMergedOcc 0
17 mol 257 unq 0 iso 0 dist 9.02271 9.80762 5.81865 15.18 6.26147 8.70029 numMergedOcc 0
18 mol 273 unq 0 iso 0 dist 8.78928 13.255 5.63226 21.2136 12.565 8.89714 numMergedOcc 0
19 mol 283 unq 0 iso 0 dist 7.90132 5.14231 9.4181 8.36393 12.3631 7.81241 numMergedOcc 0
20 mol 283 unq 1 iso 0 dist 8.80555 12.9436 9.60873 16.7494 10.147 8.4275 numMergedOcc 0
21 mol 283 unq 2 iso 0 dist 8.80418 3.77125 9.60873 8.36393 10.147 8.4275 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 8.92332 12.7808 6.79765 20.0618 12.3343 7.78796 numMergedOcc 0
