0 mol 32 unq 0 iso 0 dist 4.31912 10.2135 8.68559 7.70136 7.18766 7.93694 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 4.31912 10.2135 8.68559 6.44894 7.48825 6.68431 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 8.62501 5.83686 8.24062 4.50806 6.5096 5.33688 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 9.97598 4.31214 8.66514 5.45426 7.71582 5.90098 numMergedOcc 0
4 mol 88 unq 1 iso 0 dist 7.44647 9.86323 9.25235 5.25762 6.65776 5.90098 numMergedOcc 0
5 mol 105 unq 0 iso 0 dist 6.60484 9.14885 8.36733 4.44684 6.52726 6.25861 numMergedOcc 0
6 mol 105 unq 1 iso 0 dist 6.60484 9.14885 8.36733 12.4378 9.12363 5.88211 numMergedOcc 0
7 mol 105 unq 2 iso 0 dist 6.60484 9.14885 8.36733 11.7644 6.50017 9.02292 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 7.83743 5.61542 8.68821 6.83232 7.36816 4.77056 numMergedOcc 0
9 mol 114 unq 1 iso 0 dist 7.83743 6.5491 7.12609 6.83232 7.36816 5.31865 numMergedOcc 0
10 mol 114 unq 2 iso 0 dist 8.50045 10.0998 6.73814 13.5627 9.86739 12.1324 numMergedOcc 0
11 mol 114 unq 3 iso 0 dist 8.50045 10.0998 6.73814 14.1282 8.39249 6.95201 numMergedOcc 0
12 mol 114 unq 4 iso 0 dist 8.50045 10.0998 6.73814 6.69079 8.93623 5.9968 numMergedOcc 0
13 mol 114 unq 5 iso 0 dist 9.31512 6.6622 6.96442 4.51826 8.87941 5.37729 numMergedOcc 0
14 mol 114 unq 6 iso 0 dist 8.40088 4.61737 6.96442 9.93702 8.87941 5.37729 numMergedOcc 0
15 mol 127 unq 0 iso 0 dist 8.50625 9.80469 6.192 6.35116 6.3244 8.00931 numMergedOcc 0
16 mol 127 unq 1 iso 0 dist 8.50625 5.46474 7.69308 6.35116 6.3244 6.85862 numMergedOcc 0
17 mol 127 unq 2 iso 0 dist 8.50625 10.7122 8.59981 6.35116 6.3244 4.77464 numMergedOcc 0
18 mol 127 unq 3 iso 0 dist 8.50625 13.0671 7.66331 6.35116 6.3244 7.11695 numMergedOcc 0
19 mol 127 unq 4 iso 0 dist 8.97156 13.0804 9.81878 4.95538 6.3244 14.085 numMergedOcc 0
20 mol 187 unq 0 iso 0 dist 6.00248 10.7804 9.27478 4.71837 7.01496 6.62321 numMergedOcc 0
21 mol 194 unq 0 iso 0 dist 6.29314 4.69605 6.95408 5.65101 6.41318 7.11879 numMergedOcc 0
22 mol 194 unq 1 iso 0 dist 6.29314 11.4163 9.57538 5.65101 6.41318 8.89656 numMergedOcc 0
23 mol 194 unq 2 iso 0 dist 6.29314 12.1429 9.2285 5.65101 6.41318 7.8502 numMergedOcc 0
24 mol 194 unq 3 iso 0 dist 6.29314 12.0164 7.58278 5.65101 6.41318 7.82648 numMergedOcc 0
25 mol 225 unq 0 iso 0 dist 4.90724 4.72643 5.50387 6.299 8.75834 10.7506 numMergedOcc 0
26 mol 225 unq 1 iso 0 dist 4.90724 4.72643 5.50387 9.63082 9.36396 7.12954 numMergedOcc 0
27 mol 225 unq 2 iso 0 dist 7.01671 6.89806 5.50387 6.98496 8.75834 10.7506 numMergedOcc 0
28 mol 225 unq 3 iso 0 dist 7.01671 6.89806 5.50387 13.7921 9.36396 7.12954 numMergedOcc 0
29 mol 233 unq 0 iso 0 dist 9.13657 11.1704 9.43203 12.8565 9.2911 4.53103 numMergedOcc 0
30 mol 234 unq 0 iso 0 dist 5.99388 5.19951 6.16063 5.04225 8.49841 5.9221 numMergedOcc 0
31 mol 239 unq 0 iso 0 dist 7.35524 4.94369 7.20082 5.47616 6.34801 6.26168 numMergedOcc 0
32 mol 239 unq 1 iso 0 dist 6.88731 6.94683 7.39747 6.59691 6.34801 7.04058 numMergedOcc 0
33 mol 243 unq 0 iso 0 dist 9.8043 10.2118 8.61104 5.32118 9.1101 6.55284 numMergedOcc 0
34 mol 243 unq 1 iso 0 dist 9.8043 10.2118 8.61104 11.4546 8.93338 10.5389 numMergedOcc 0
35 mol 259 unq 0 iso 0 dist 5.67172 10.515 7.50578 4.50424 8.76313 11.5772 numMergedOcc 0
36 mol 259 unq 1 iso 0 dist 5.67172 10.515 7.50578 5.41805 7.4363 7.44916 numMergedOcc 0
