0 mol 18 unq 0 iso 0 dist 6.39307 4.49033 5.04478 11.7139 6.11048 8.52106 12.7898 11.0746 8.80193 10.6757 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 6.39307 4.49033 5.04478 9.38772 4.52259 6.32451 12.7898 11.0746 8.80193 7.62011 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 6.56549 6.72058 6.78936 10.9434 9.11842 9.77484 13.5689 10.8132 8.71752 6.65855 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 6.56549 6.72058 6.78936 10.9434 9.11842 9.77484 14.1556 13.4461 7.60283 14.3929 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 8.69574 6.13812 5.81001 11.5838 12.466 9.20119 10.7145 4.06745 5.55096 10.7082 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 8.42219 10.3316 8.0168 12.5192 6.63111 7.76729 10.2513 10.3264 7.70313 14.0688 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 5.90003 6.02826 6.55202 7.91337 6.30721 7.39889 8.4733 10.3622 7.26955 5.92984 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 5.90003 6.02826 6.55202 11.7745 6.9194 9.63176 8.4733 10.3622 7.26955 15.5019 numMergedOcc 0
8 mol 119 unq 2 iso 0 dist 5.90003 6.02826 6.55202 13.3911 12.4621 7.44174 8.4733 10.3622 7.26955 10.314 numMergedOcc 0
9 mol 134 unq 0 iso 0 dist 9.13697 5.90631 5.52149 13.3013 11.5407 8.94837 5.49198 6.06606 6.93279 14.2198 numMergedOcc 0
10 mol 134 unq 1 iso 0 dist 9.13697 5.90631 5.52149 13.0519 5.91192 7.77454 5.49198 6.06606 6.93279 11.147 numMergedOcc 0
11 mol 227 unq 0 iso 0 dist 8.79884 4.18393 7.79951 9.96308 4.1511 8.17891 11.2718 12.8337 7.57454 10.9607 numMergedOcc 0
12 mol 227 unq 1 iso 0 dist 8.79884 4.18393 7.79951 9.95674 4.69247 6.95902 11.2718 12.8337 7.57454 9.72615 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 9.99194 4.81145 8.69525 9.32451 5.27215 6.05141 11.9862 15.3328 8.09718 10.7081 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 9.99194 4.81145 8.69525 9.32451 5.27215 6.05141 11.4318 10.3346 6.73446 5.50308 numMergedOcc 0
15 mol 238 unq 2 iso 0 dist 9.99194 4.81145 8.69525 11.5933 6.13368 8.09066 11.9862 15.3328 8.09718 12.2874 numMergedOcc 0
16 mol 238 unq 3 iso 0 dist 9.99194 4.81145 8.69525 11.5933 6.13368 8.09066 11.4318 10.3346 6.73446 7.11984 numMergedOcc 0
17 mol 238 unq 4 iso 0 dist 9.99194 4.81145 8.69525 10.7555 10.0605 7.2766 11.9862 15.3328 8.09718 10.4017 numMergedOcc 0
18 mol 238 unq 5 iso 0 dist 9.99194 4.81145 8.69525 10.7555 10.0605 7.2766 11.4318 10.3346 6.73446 7.95232 numMergedOcc 0
19 mol 259 unq 0 iso 0 dist 4.95855 4.09442 6.23661 10.5892 10.067 7.48005 8.90398 4.47425 8.71497 8.81835 numMergedOcc 0
20 mol 259 unq 1 iso 0 dist 4.95855 4.09442 6.23661 9.12507 7.09907 8.37865 8.90398 4.47425 8.71497 8.75685 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 4.97796 5.95459 6.66172 6.55855 8.87855 9.19234 6.83113 5.39432 9.20749 5.64601 numMergedOcc 0
