0 mol 15 unq 0 iso 0 dist 6.60595 7.11548 6.42748 9.58989 4.22652 6.31608 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.0319 15.919 9.01567 16.6689 8.92779 7.03544 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.0319 15.919 9.01567 14.4828 9.76111 6.93597 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.0319 15.2997 7.29868 21.4989 13.7992 7.85986 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 8.0319 15.2997 7.29868 16.6689 8.92779 4.30252 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 7.03536 11.1037 9.30539 10.0914 4.73184 9.97813 numMergedOcc 0
6 mol 101 unq 0 iso 0 dist 8.65215 4.93063 6.98314 7.33426 6.2696 9.44645 numMergedOcc 0
7 mol 101 unq 1 iso 0 dist 9.65097 4.93063 7.61685 7.33426 10.1773 9.44645 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 9.64641 14.3991 7.02927 12.2145 4.56372 5.54226 numMergedOcc 0
9 mol 117 unq 0 iso 0 dist 9.32858 10.8848 7.70232 12.2808 4.46691 6.5788 numMergedOcc 0
10 mol 117 unq 1 iso 0 dist 9.32858 9.26317 7.4671 12.2808 4.46691 6.2771 numMergedOcc 0
11 mol 158 unq 0 iso 0 dist 8.9053 4.19752 8.647 9.04564 6.05019 7.20362 numMergedOcc 0
12 mol 182 unq 0 iso 0 dist 9.06702 4.49268 7.09394 9.06707 6.45169 9.98182 numMergedOcc 0
13 mol 182 unq 1 iso 0 dist 9.06702 4.49268 7.09394 11.8604 6.1548 9.02127 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 8.52924 5.63231 6.03688 10.8414 6.49049 5.59832 numMergedOcc 0
15 mol 205 unq 1 iso 0 dist 7.51951 7.56138 5.44002 10.1734 4.30308 7.13824 numMergedOcc 0
16 mol 205 unq 2 iso 0 dist 6.94789 10.0824 4.8668 12.528 7.35363 7.75318 numMergedOcc 0
17 mol 205 unq 3 iso 0 dist 6.23932 5.00854 4.8668 9.21286 7.35363 7.75318 numMergedOcc 0
18 mol 206 unq 0 iso 0 dist 8.11407 11.6019 6.16414 10.4918 4.46135 7.9416 numMergedOcc 0
19 mol 206 unq 1 iso 0 dist 8.95375 11.6019 7.75885 10.4918 3.56132 7.9416 numMergedOcc 0
20 mol 206 unq 2 iso 0 dist 9.29007 6.64436 7.75885 11.1494 3.56132 7.9416 numMergedOcc 0
21 mol 222 unq 0 iso 0 dist 6.77368 6.49768 9.07471 9.9582 6.70898 9.30639 numMergedOcc 0
22 mol 222 unq 1 iso 0 dist 7.73634 10.3035 9.07471 9.69145 6.70898 9.30639 numMergedOcc 0
23 mol 244 unq 0 iso 0 dist 9.21656 4.89551 5.50492 9.45199 8.49798 9.30179 numMergedOcc 0
24 mol 244 unq 1 iso 0 dist 9.21656 4.89551 5.50492 9.07512 9.54706 6.10489 numMergedOcc 0
25 mol 244 unq 2 iso 0 dist 9.21656 4.89551 5.50492 9.12728 4.06591 4.4204 numMergedOcc 0
26 mol 249 unq 0 iso 0 dist 6.26142 9.55793 5.48118 15.8134 10.3504 8.76518 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 7.57187 12.7787 9.63959 12.0601 4.83605 9.36974 numMergedOcc 0
28 mol 278 unq 0 iso 0 dist 6.84604 10.7698 6.62841 15.0743 9.26354 8.1769 numMergedOcc 0
29 mol 278 unq 1 iso 0 dist 6.84604 10.7698 6.62841 11.9878 5.33325 7.1656 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 7.7743 9.62532 9.65934 5.55176 3.65199 9.25759 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 7.7743 9.62532 9.65934 5.55176 3.65199 9.25759 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 7.7743 9.62532 9.65934 5.55176 3.65199 9.25759 numMergedOcc 0
