0 mol 30 unq 0 iso 0 dist 7.15015 8.3224 9.67807 8.15347 9.57664 12.2339 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 7.15015 8.71602 4.06512 8.15347 9.57664 9.75483 numMergedOcc 0
2 mol 30 unq 2 iso 0 dist 7.15015 7.54379 6.29623 8.15347 9.57664 4.94024 numMergedOcc 0
3 mol 30 unq 3 iso 0 dist 3.68549 8.3224 6.54878 8.15347 6.61952 12.2339 numMergedOcc 0
4 mol 30 unq 4 iso 0 dist 3.68549 8.71602 5.62773 8.15347 6.61952 9.75483 numMergedOcc 0
5 mol 30 unq 5 iso 0 dist 3.68549 7.54379 4.20285 8.15347 6.61952 4.94024 numMergedOcc 0
6 mol 43 unq 0 iso 0 dist 8.06275 8.74209 5.41726 9.72346 9.86609 5.14161 numMergedOcc 0
7 mol 51 unq 0 iso 0 dist 6.67213 8.92175 4.32726 7.01107 4.63184 5.70395 numMergedOcc 0
8 mol 54 unq 0 iso 0 dist 6.72872 7.72041 4.02037 6.6367 6.91496 4.9947 numMergedOcc 0
9 mol 68 unq 0 iso 0 dist 5.9651 6.09085 7.50975 7.51631 10.9724 7.18877 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 9.43143 9.73435 4.03844 9.85325 4.7874 5.36604 numMergedOcc 0
11 mol 78 unq 0 iso 0 dist 9.29446 8.56119 9.76194 9.9934 15.5077 6.79809 numMergedOcc 0
12 mol 78 unq 1 iso 0 dist 5.8992 8.56119 5.7558 9.9934 6.67525 6.79809 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 7.90775 7.84956 7.45908 8.6356 7.82258 3.62998 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 7.90775 8.57607 4.99174 8.6356 7.82258 8.96713 numMergedOcc 0
15 mol 95 unq 2 iso 0 dist 7.90775 6.1991 4.46005 8.6356 7.82258 10.6694 numMergedOcc 0
16 mol 95 unq 3 iso 0 dist 7.90775 5.96246 8.28518 8.6356 7.82258 10.3539 numMergedOcc 0
17 mol 95 unq 4 iso 0 dist 8.49531 7.84956 10.2496 8.6356 12.6805 3.62998 numMergedOcc 0
18 mol 95 unq 5 iso 0 dist 8.49531 8.57607 16.6518 8.6356 12.6805 8.96713 numMergedOcc 0
19 mol 95 unq 6 iso 0 dist 8.49531 6.1991 13.1525 8.6356 12.6805 10.6694 numMergedOcc 0
20 mol 95 unq 7 iso 0 dist 8.49531 5.96246 7.26851 8.6356 12.6805 10.3539 numMergedOcc 0
21 mol 102 unq 0 iso 0 dist 8.84131 9.16431 7.75097 9.00369 3.48119 10.5665 numMergedOcc 0
22 mol 162 unq 0 iso 0 dist 5.21803 9.71155 5.65603 8.7019 4.68369 5.34959 numMergedOcc 0
23 mol 169 unq 0 iso 0 dist 6.28961 8.89822 5.7891 7.07933 5.38859 3.59996 numMergedOcc 0
24 mol 186 unq 0 iso 0 dist 9.52413 8.9388 15.4336 8.86574 4.04122 16.2492 numMergedOcc 0
25 mol 214 unq 0 iso 0 dist 9.43611 5.56977 8.48942 6.26596 4.15355 5.22858 numMergedOcc 0
26 mol 218 unq 0 iso 0 dist 8.95233 7.64563 6.45316 8.41062 9.95258 4.96807 numMergedOcc 0
27 mol 218 unq 1 iso 0 dist 8.95233 7.64563 6.45316 8.93793 3.61669 6.16586 numMergedOcc 0
28 mol 248 unq 0 iso 0 dist 7.40475 5.65458 7.48679 5.76741 6.19721 3.56723 numMergedOcc 0
29 mol 266 unq 0 iso 0 dist 6.95233 7.30349 6.17213 7.96613 14.5358 13.6742 numMergedOcc 0
30 mol 266 unq 1 iso 0 dist 9.61741 7.30349 10.9352 7.96613 13.7682 13.6742 numMergedOcc 0
31 mol 266 unq 2 iso 0 dist 5.61056 7.30349 4.0027 7.96613 11.879 13.6742 numMergedOcc 0
32 mol 285 unq 0 iso 0 dist 6.44657 7.12723 10.8644 5.93983 8.33646 3.14843 numMergedOcc 0
