0 mol 76 unq 0 iso 0 dist 6.83992 4.74638 8.13108 9.81129 10.963 9.4866 numMergedOcc 0
1 mol 76 unq 1 iso 0 dist 6.83992 4.74638 8.13108 11.4218 7.18506 9.40363 numMergedOcc 0
2 mol 114 unq 0 iso 0 dist 8.64783 4.62699 5.7144 9.84759 6.95201 5.51885 numMergedOcc 0
3 mol 117 unq 0 iso 0 dist 9.85576 12.4378 8.84018 12.907 4.91401 9.94053 numMergedOcc 0
4 mol 119 unq 0 iso 0 dist 6.49205 8.22696 8.95212 12.9568 10.3457 6.13374 numMergedOcc 0
5 mol 119 unq 1 iso 0 dist 6.49205 8.22696 8.95212 16.8697 16.7975 9.08536 numMergedOcc 0
6 mol 119 unq 2 iso 0 dist 9.42766 16.57 7.64052 19.2082 10.0197 6.13374 numMergedOcc 0
7 mol 119 unq 3 iso 0 dist 9.42766 16.57 7.64052 19.0836 10.6679 9.08536 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 6.43406 5.71744 5.05973 11.6898 8.35755 6.76746 numMergedOcc 0
9 mol 214 unq 0 iso 0 dist 8.49704 4.112 7.46481 6.35728 6.67959 8.70987 numMergedOcc 0
10 mol 224 unq 0 iso 0 dist 9.75313 3.56689 8.08349 9.04427 10.7113 5.73591 numMergedOcc 0
11 mol 224 unq 1 iso 0 dist 9.75313 3.56689 8.08349 11.833 11.4491 8.55345 numMergedOcc 0
12 mol 224 unq 2 iso 0 dist 6.08709 11.4272 8.08349 15.1149 10.7113 5.73591 numMergedOcc 0
13 mol 224 unq 3 iso 0 dist 6.08709 11.4272 8.08349 17.012 11.4491 8.55345 numMergedOcc 0
14 mol 238 unq 0 iso 0 dist 5.24313 12.4194 9.12776 10.2991 8.82861 9.84652 numMergedOcc 0
15 mol 238 unq 1 iso 0 dist 9.31417 13.338 9.72188 22.237 15.5674 9.84652 numMergedOcc 0
16 mol 238 unq 2 iso 0 dist 5.56719 12.046 9.72188 19.4841 15.5674 9.84652 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 7.93997 7.06301 5.85442 9.27954 5.79468 6.23661 numMergedOcc 0
18 mol 274 unq 0 iso 0 dist 6.00877 5.9397 6.4611 5.42845 5.31116 6.66172 numMergedOcc 0
19 mol 274 unq 1 iso 0 dist 8.66451 4.89003 6.4611 5.62484 5.31116 6.66172 numMergedOcc 0
20 mol 284 unq 0 iso 0 dist 8.42412 6.34668 6.41303 9.1161 5.21666 9.69262 numMergedOcc 0
