0 mol 16 unq 0 iso 0 dist 6.59181 8.15776 6.52889 4.66856 5.38103 8.84153 numMergedOcc 0
1 mol 55 unq 0 iso 0 dist 5.12277 8.24934 10.1436 9.56392 9.95691 17.6868 numMergedOcc 0
2 mol 91 unq 0 iso 0 dist 9.52936 8.01351 9.36488 14.5145 6.91417 10.7413 numMergedOcc 0
3 mol 91 unq 1 iso 0 dist 9.52936 8.98201 15.773 14.5145 6.91417 22.1738 numMergedOcc 0
4 mol 91 unq 2 iso 0 dist 9.52936 6.4026 11.8427 14.5145 6.91417 17.9429 numMergedOcc 0
5 mol 111 unq 0 iso 0 dist 5.68841 9.01608 5.67604 4.41283 7.42431 12.0802 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 8.27008 8.72732 15.392 4.82833 6.53153 10.1412 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 8.27008 8.72732 15.392 4.32516 6.29975 12.9713 numMergedOcc 0
8 mol 133 unq 2 iso 0 dist 8.27008 8.72732 15.392 8.58958 8.29673 15.6697 numMergedOcc 0
9 mol 140 unq 0 iso 0 dist 8.15605 8.72216 5.14081 8.25136 6.40792 10.3007 numMergedOcc 0
10 mol 140 unq 1 iso 0 dist 8.312 8.72216 9.12063 8.25136 7.81701 10.3007 numMergedOcc 0
11 mol 204 unq 0 iso 0 dist 9.06541 6.97502 8.75176 10.4409 5.5581 11.4831 numMergedOcc 0
12 mol 278 unq 0 iso 0 dist 6.08019 9.79758 11.0702 7.02863 9.30751 13.5813 numMergedOcc 0
13 mol 279 unq 0 iso 0 dist 9.5174 7.69328 15.2194 4.51764 7.63115 10.8434 numMergedOcc 0
14 mol 279 unq 1 iso 0 dist 9.5174 8.93979 7.34826 4.51764 7.63115 5.17586 numMergedOcc 0
15 mol 280 unq 0 iso 0 dist 9.69573 7.38699 9.78493 10.3716 7.1704 14.3817 numMergedOcc 0
16 mol 280 unq 1 iso 0 dist 9.69573 7.38699 9.78493 13.86 9.63837 17.1192 numMergedOcc 0
17 mol 280 unq 2 iso 0 dist 6.42515 7.38699 9.73214 10.3716 5.59626 14.3817 numMergedOcc 0
18 mol 280 unq 3 iso 0 dist 9.8581 7.61357 14.1092 12.471 8.88567 12.1637 numMergedOcc 0
19 mol 280 unq 4 iso 0 dist 9.8581 8.67836 18.3519 12.471 8.88567 18.3259 numMergedOcc 0
20 mol 283 unq 0 iso 0 dist 9.74822 9.16563 5.96063 8.45989 9.21922 13.1699 numMergedOcc 0
