0 mol 53 unq 0 iso 0 dist 6.26613 8.92376 9.61297 6.5074 8.62669 13.0872 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 8.49449 7.88197 9.22295 5.53748 6.25914 11.0142 numMergedOcc 0
2 mol 55 unq 1 iso 0 dist 8.49449 7.88197 9.22295 10.307 6.03755 14.4066 numMergedOcc 0
3 mol 55 unq 2 iso 0 dist 8.49449 8.71654 12.185 5.53748 6.25914 12.1078 numMergedOcc 0
4 mol 55 unq 3 iso 0 dist 8.49449 8.71654 12.185 10.307 6.03755 14.1288 numMergedOcc 0
5 mol 55 unq 4 iso 0 dist 6.45963 8.68478 12.185 4.53728 6.25914 12.1078 numMergedOcc 0
6 mol 55 unq 5 iso 0 dist 6.45963 8.68478 12.185 5.70356 6.03755 14.1288 numMergedOcc 0
7 mol 56 unq 0 iso 0 dist 9.32273 8.59429 13.8294 6.60662 8.54845 14.8135 numMergedOcc 0
8 mol 56 unq 1 iso 0 dist 7.96214 8.59429 6.91516 11.6666 8.125 14.8627 numMergedOcc 0
9 mol 98 unq 0 iso 0 dist 5.1232 6.98059 5.09562 12.0258 8.20865 5.74854 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 4.76168 5.63127 5.09562 5.58126 8.20865 5.74854 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 6.06276 5.09948 6.61554 8.1066 8.34161 10.7839 numMergedOcc 0
12 mol 158 unq 1 iso 0 dist 6.06276 5.09948 6.61554 5.155 6.95381 9.65968 numMergedOcc 0
13 mol 173 unq 0 iso 0 dist 4.85278 7.38163 10.5175 9.63894 8.70197 16.2934 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 8.68482 9.08318 12.0796 4.65392 7.7292 6.85441 numMergedOcc 0
15 mol 204 unq 1 iso 0 dist 8.68482 9.08318 12.0796 11.0965 6.27396 16.2661 numMergedOcc 0
16 mol 212 unq 0 iso 0 dist 8.53152 6.99065 12.4408 6.05846 9.1384 13.0243 numMergedOcc 0
17 mol 212 unq 1 iso 0 dist 8.53152 6.99065 12.4408 5.19318 7.87125 11.1501 numMergedOcc 0
18 mol 212 unq 2 iso 0 dist 8.53152 5.90507 6.39716 6.05846 9.1384 10.5561 numMergedOcc 0
19 mol 212 unq 3 iso 0 dist 8.53152 5.90507 6.39716 5.19318 7.87125 8.74585 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 7.7874 8.08402 4.08418 4.71355 7.77535 7.05523 numMergedOcc 0
21 mol 220 unq 0 iso 0 dist 9.64006 5.31149 7.92534 15.7646 8.9077 15.5985 numMergedOcc 0
22 mol 229 unq 0 iso 0 dist 5.95601 5.67652 7.57247 6.23286 8.0007 5.77318 numMergedOcc 0
23 mol 258 unq 0 iso 0 dist 5.50553 6.51617 6.42313 7.08073 7.46199 11.3842 numMergedOcc 0
24 mol 281 unq 0 iso 0 dist 6.97131 9.51226 6.60911 10.7592 9.64422 14.2379 numMergedOcc 0
25 mol 284 unq 0 iso 0 dist 6.05336 7.61643 9.18346 8.82631 7.2795 15.3034 numMergedOcc 0
26 mol 284 unq 1 iso 0 dist 6.05336 7.61643 9.18346 13.559 9.41428 18.5375 numMergedOcc 0
