0 mol 34 unq 0 iso 0 dist 9.75011 15.4758 8.55901 14.0593 4.46241 8.90835 numMergedOcc 0
1 mol 37 unq 0 iso 0 dist 9.64602 5.41668 7.17699 10.8424 4.36537 6.84337 numMergedOcc 0
2 mol 39 unq 0 iso 0 dist 7.54441 5.92759 8.43814 9.70029 10.3659 6.47855 numMergedOcc 0
3 mol 39 unq 1 iso 0 dist 9.84326 5.92759 8.16689 9.70029 5.7332 6.47855 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 7.62709 10.9036 8.13782 15.5531 9.85038 7.21995 numMergedOcc 0
5 mol 45 unq 1 iso 0 dist 7.62709 10.9036 8.13782 19.2824 13.1805 9.62637 numMergedOcc 0
6 mol 45 unq 2 iso 0 dist 7.61402 13.4742 8.13782 13.7903 6.39184 5.55096 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 8.90311 12.9601 9.49413 12.7156 13.9603 8.809 numMergedOcc 0
8 mol 114 unq 1 iso 0 dist 7.81181 11.5609 8.39249 20.2931 14.0577 9.83981 numMergedOcc 0
9 mol 140 unq 0 iso 0 dist 6.29125 5.35291 5.63811 10.2706 4.35399 8.60108 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 9.15536 10.9709 4.79852 13.3081 4.30489 5.4997 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 9.15536 10.9709 4.79852 10.8434 4.57622 6.99693 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 7.88787 9.91634 8.20656 18.6687 14.048 9.06217 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 7.88787 13.2318 9.40622 18.6687 14.048 7.13252 numMergedOcc 0
14 mol 181 unq 2 iso 0 dist 9.30874 10.168 8.20656 9.99409 4.43678 5.95304 numMergedOcc 0
15 mol 181 unq 3 iso 0 dist 5.54873 10.168 9.40622 9.99409 6.03415 5.95304 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 7.90344 13.4787 6.00721 8.52162 4.38002 7.04753 numMergedOcc 0
17 mol 274 unq 0 iso 0 dist 9.89613 5.06637 8.49866 13.9072 11.0599 9.20749 numMergedOcc 0
