0 mol 48 unq 0 iso 0 dist 8.38139 9.66461 8.5248 4.62339 11.1295 8.28883 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 9.23164 6.27017 7.27834 7.95967 5.65519 9.86958 numMergedOcc 0
2 mol 91 unq 0 iso 0 dist 8.42914 8.01351 10.1359 7.97927 14.0966 5.78962 numMergedOcc 0
3 mol 91 unq 1 iso 0 dist 8.17327 8.01351 11.3866 7.97927 14.3482 5.78962 numMergedOcc 0
4 mol 91 unq 2 iso 0 dist 9.52936 8.01351 9.36488 7.97927 13.5357 5.78962 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 8.55624 9.09555 6.70235 5.36674 6.98876 5.61016 numMergedOcc 0
6 mol 104 unq 0 iso 0 dist 9.71834 9.0159 15.4887 4.96991 14.1857 5.90762 numMergedOcc 0
7 mol 132 unq 0 iso 0 dist 8.78382 5.52837 6.84485 9.98904 7.79845 8.15549 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.27008 8.72732 15.392 10.5918 16.3752 5.12189 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 8.27008 8.72732 15.392 5.48547 9.71281 7.50126 numMergedOcc 0
10 mol 140 unq 0 iso 0 dist 8.15605 8.72216 5.14081 4.56374 9.83976 8.05043 numMergedOcc 0
11 mol 140 unq 1 iso 0 dist 8.312 8.72216 9.12063 4.56374 10.4396 8.05043 numMergedOcc 0
12 mol 183 unq 0 iso 0 dist 9.51356 9.6562 15.1602 4.69919 13.943 7.94469 numMergedOcc 0
13 mol 233 unq 0 iso 0 dist 6.28379 5.79204 5.20211 4.97917 9.52129 6.72499 numMergedOcc 0
14 mol 233 unq 1 iso 0 dist 6.28379 5.79204 5.20211 5.02653 10.2561 7.21238 numMergedOcc 0
15 mol 233 unq 2 iso 0 dist 8.91643 5.79204 7.96328 4.97917 12.9961 6.72499 numMergedOcc 0
16 mol 233 unq 3 iso 0 dist 8.91643 5.79204 7.96328 5.02653 12.1542 7.21238 numMergedOcc 0
17 mol 279 unq 0 iso 0 dist 9.5174 8.93979 7.34826 7.27711 13.558 8.57035 numMergedOcc 0
18 mol 280 unq 0 iso 0 dist 9.69573 7.31523 14.6308 11.1583 17.4399 6.83927 numMergedOcc 0
19 mol 280 unq 1 iso 0 dist 9.69573 7.38699 9.78493 5.09741 14.6668 9.43447 numMergedOcc 0
20 mol 280 unq 2 iso 0 dist 6.42515 7.61357 13.3704 13.0755 18.7366 8.57733 numMergedOcc 0
21 mol 280 unq 3 iso 0 dist 6.42515 7.61357 13.3704 15.1044 20.0533 9.05509 numMergedOcc 0
22 mol 280 unq 4 iso 0 dist 6.42515 8.67836 14.6308 11.8477 17.4399 6.83927 numMergedOcc 0
23 mol 280 unq 5 iso 0 dist 6.42515 7.38699 9.73214 5.09741 10.7318 9.43447 numMergedOcc 0
24 mol 280 unq 6 iso 0 dist 9.8581 7.61357 14.1092 13.0755 17.9768 8.57733 numMergedOcc 0
25 mol 280 unq 7 iso 0 dist 9.8581 7.61357 14.1092 15.1044 17.7794 9.05509 numMergedOcc 0
26 mol 280 unq 8 iso 0 dist 9.8581 8.67836 18.3519 11.8477 20.3226 6.83927 numMergedOcc 0
27 mol 283 unq 0 iso 0 dist 9.74822 9.16563 5.96063 5.08363 5.78449 7.88405 numMergedOcc 0
