0 mol 53 unq 0 iso 0 dist 8.79235 7.13443 7.11695 14.8207 9.32314 9.15119 numMergedOcc 0
1 mol 53 unq 1 iso 0 dist 8.79235 4.94089 7.58093 14.8207 9.32314 14.2778 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 7.80026 14.6616 8.35444 12.2403 6.23509 3.75088 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 6.44825 13.1761 8.96498 8.43533 5.88409 11.4786 numMergedOcc 0
4 mol 107 unq 0 iso 0 dist 8.28321 5.95601 7.14125 4.94251 9.54492 5.43836 numMergedOcc 0
5 mol 107 unq 1 iso 0 dist 8.89853 7.8112 7.14125 7.56817 9.54492 5.43836 numMergedOcc 0
6 mol 193 unq 0 iso 0 dist 8.44337 10.9154 5.79911 14.2741 6.94187 4.69617 numMergedOcc 0
7 mol 204 unq 0 iso 0 dist 5.81438 5.64245 5.3819 10.6524 8.23717 6.68247 numMergedOcc 0
8 mol 204 unq 1 iso 0 dist 5.81438 5.64245 5.3819 9.88337 7.98864 7.51762 numMergedOcc 0
9 mol 214 unq 0 iso 0 dist 6.0155 12.5858 9.58372 10.4614 7.70062 6.05252 numMergedOcc 0
10 mol 214 unq 1 iso 0 dist 6.0155 12.5858 9.58372 9.84398 7.66702 4.00138 numMergedOcc 0
11 mol 217 unq 0 iso 0 dist 6.58871 5.56523 9.59084 9.16386 6.19602 8.12816 numMergedOcc 0
12 mol 225 unq 0 iso 0 dist 8.94981 13.2718 8.91356 10.8002 8.74463 16.5061 numMergedOcc 0
13 mol 225 unq 1 iso 0 dist 8.94981 17.5728 9.59574 10.8002 8.74463 10.2743 numMergedOcc 0
14 mol 254 unq 0 iso 0 dist 8.98141 9.73337 9.66641 4.96278 5.6417 6.19835 numMergedOcc 0
15 mol 272 unq 0 iso 0 dist 5.38409 10.6582 8.84523 4.58591 5.53492 9.97731 numMergedOcc 0
16 mol 272 unq 1 iso 0 dist 8.45524 5.96784 8.84523 8.33955 5.53492 9.97731 numMergedOcc 0
17 mol 286 unq 0 iso 0 dist 6.64391 10.4495 7.31896 12.1288 8.75926 3.74137 numMergedOcc 0
