0 mol 24 unq 0 iso 0 dist 8.70141 8.6586 4.21283 12.8473 9.40479 13.1457 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.70141 8.6586 4.21283 4.36056 9.58012 8.56274 numMergedOcc 0
2 mol 90 unq 0 iso 0 dist 7.86269 6.10053 4.67883 7.25581 7.51138 9.49744 numMergedOcc 0
3 mol 90 unq 1 iso 0 dist 7.86269 6.10053 4.67883 11.1561 9.86843 13.1387 numMergedOcc 0
4 mol 90 unq 2 iso 0 dist 7.86269 6.10053 4.67883 11.7919 6.86146 11.2433 numMergedOcc 0
5 mol 90 unq 3 iso 0 dist 7.86269 6.10053 4.67883 9.89859 8.83296 10.0174 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 8.42713 5.10693 12.5638 8.02579 5.51624 11.2834 numMergedOcc 0
7 mol 93 unq 1 iso 0 dist 8.42713 5.10693 12.5638 12.3147 7.8674 16.8123 numMergedOcc 0
8 mol 93 unq 2 iso 0 dist 8.42713 6.58814 12.4215 8.02579 5.51624 11.0824 numMergedOcc 0
9 mol 93 unq 3 iso 0 dist 8.42713 6.58814 12.4215 12.3147 7.8674 17.3928 numMergedOcc 0
10 mol 93 unq 4 iso 0 dist 8.42713 6.13459 5.99863 8.02579 5.51624 9.30843 numMergedOcc 0
11 mol 93 unq 5 iso 0 dist 8.42713 6.13459 5.99863 12.3147 7.8674 6.25522 numMergedOcc 0
12 mol 93 unq 6 iso 0 dist 8.42713 7.54391 6.15015 8.02579 5.51624 10.0605 numMergedOcc 0
13 mol 93 unq 7 iso 0 dist 8.42713 7.54391 6.15015 12.3147 7.8674 7.87145 numMergedOcc 0
14 mol 154 unq 0 iso 0 dist 9.2042 6.12278 14.9051 15.6002 9.14458 20.4873 numMergedOcc 0
15 mol 162 unq 0 iso 0 dist 8.48559 9.067 5.21512 5.61836 8.53374 5.97934 numMergedOcc 0
16 mol 163 unq 0 iso 0 dist 5.80513 9.37245 12.99 3.64474 7.3546 12.2996 numMergedOcc 0
17 mol 171 unq 0 iso 0 dist 7.68295 7.06555 12.1034 14.0377 9.75627 15.6654 numMergedOcc 0
18 mol 194 unq 0 iso 0 dist 7.47107 8.76748 14.7863 11.4288 5.52678 19.7241 numMergedOcc 0
19 mol 194 unq 1 iso 0 dist 7.47107 8.76748 14.7863 15.4624 9.81666 22.9135 numMergedOcc 0
20 mol 196 unq 0 iso 0 dist 7.63142 9.34759 5.9011 11.9939 9.83236 15.6683 numMergedOcc 0
21 mol 237 unq 0 iso 0 dist 8.06435 9.33231 8.49326 6.68355 7.63812 7.95072 numMergedOcc 0
22 mol 286 unq 0 iso 0 dist 7.3415 8.87916 9.21314 7.28845 5.91064 13.7414 numMergedOcc 0
23 mol 286 unq 1 iso 0 dist 7.3415 8.27359 10.3374 7.28845 5.91064 11.0082 numMergedOcc 0
24 mol 286 unq 2 iso 0 dist 7.3415 8.14957 7.62289 7.28845 5.91064 7.43339 numMergedOcc 0
