0 mol 8 unq 0 iso 0 dist 9.11545 12.4359 9.00925 10.9865 8.68949 16.2669 11.8131 4.36784 9.66021 12.3971 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 6.79758 12.9465 9.3147 7.99314 8.75001 10.2713 11.2516 4.55916 9.65404 12.3973 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 7.52544 6.1691 7.02854 4.77004 5.73235 5.22567 9.39338 12.6371 9.45905 12.7637 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 8.60438 4.77259 6.6146 9.63545 9.06641 5.12529 10.9414 6.63999 9.46251 12.3131 numMergedOcc 0
4 mol 143 unq 0 iso 0 dist 9.6112 13.4643 6.68364 9.53483 6.87456 7.87375 20.3054 13.0852 8.99696 16.7775 numMergedOcc 0
5 mol 148 unq 0 iso 0 dist 6.17633 9.59882 9.71692 8.47619 9.18753 11.8278 14.0097 11.2206 6.58752 13.2422 numMergedOcc 0
6 mol 148 unq 1 iso 0 dist 9.32264 9.435 9.71692 12.407 9.18753 11.8278 15.2159 11.2206 6.58752 13.2422 numMergedOcc 0
7 mol 150 unq 0 iso 0 dist 6.20295 9.57563 9.73708 8.33704 9.15244 11.6537 13.9811 11.1844 6.62442 13.1275 numMergedOcc 0
8 mol 150 unq 1 iso 0 dist 9.34249 9.39127 9.73708 12.3632 9.15244 11.6537 15.1828 11.1844 6.62442 13.1275 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 9.99051 15.1546 9.94142 7.68008 8.46819 8.05438 16.8949 12.085 8.51847 12.1501 numMergedOcc 0
10 mol 220 unq 0 iso 0 dist 9.64006 16.6231 7.86207 17.9836 9.89039 9.09963 22.1722 15.8912 9.58724 18.0183 numMergedOcc 0
11 mol 220 unq 1 iso 0 dist 9.64006 16.6231 7.86207 4.47683 8.57174 14.3078 22.1722 15.8912 9.58724 19.6341 numMergedOcc 0
12 mol 239 unq 0 iso 0 dist 8.4319 6.72716 9.59937 10.3585 7.58554 5.94643 6.35005 10.6145 9.05655 11.2673 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 9.27225 4.49451 8.97411 11.1283 8.58092 13.2474 9.41308 7.74421 7.66806 9.97026 numMergedOcc 0
14 mol 266 unq 0 iso 0 dist 8.78501 12.4808 8.12204 8.96584 9.39714 5.91091 17.5015 15.9506 9.12381 11.0001 numMergedOcc 0
15 mol 266 unq 1 iso 0 dist 8.78501 12.4808 8.12204 8.96584 9.39714 5.91091 18.8024 14.4053 8.79148 13.3746 numMergedOcc 0
16 mol 266 unq 2 iso 0 dist 8.78501 12.4808 8.12204 8.96584 9.39714 5.91091 13.5378 5.69904 8.14167 11.0568 numMergedOcc 0
