0 mol 0 unq 0 iso 0 dist 9.6994 7.15528 7.19817 6.40255 8.13129 9.07223 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 7.15528 9.6994 7.19817 6.40255 9.07223 8.13129 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 9.97507 6.82505 5.17568 8.20465 7.876 8.63502 numMergedOcc 0
3 mol 15 unq 0 iso 1 dist 6.82505 9.97507 5.17568 8.20465 8.63502 7.876 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 5.54797 8.92291 6.79185 numMergedOcc 0
5 mol 43 unq 0 iso 1 dist 6.20293 5.73819 5.06502 5.54797 6.79185 8.92291 numMergedOcc 0
6 mol 43 unq 1 iso 0 dist 5.73819 8.93915 5.89973 5.54797 8.92291 8.37962 numMergedOcc 0
7 mol 43 unq 1 iso 1 dist 8.93915 5.73819 5.89973 5.54797 8.37962 8.92291 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 6.20293 8.93915 6.45462 5.54797 6.79185 8.37962 numMergedOcc 0
9 mol 43 unq 1 iso 1 dist 8.93915 6.20293 6.45462 5.54797 8.37962 6.79185 numMergedOcc 0
10 mol 54 unq 0 iso 0 dist 9.5589 6.83299 5.08001 8.17454 7.56581 9.22021 numMergedOcc 0
11 mol 54 unq 0 iso 1 dist 6.83299 9.5589 5.08001 8.17454 9.22021 7.56581 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 7.9151 9.33919 9.79143 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 6.19304 9.96396 5.4148 7.9151 9.79143 9.33919 numMergedOcc 0
14 mol 73 unq 1 iso 0 dist 9.96396 8.70481 14.9342 7.9151 9.33919 6.43377 numMergedOcc 0
15 mol 73 unq 1 iso 1 dist 8.70481 9.96396 14.9342 7.9151 6.43377 9.33919 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 6.19304 8.70481 13.3558 7.9151 9.79143 6.43377 numMergedOcc 0
17 mol 73 unq 1 iso 1 dist 8.70481 6.19304 13.3558 7.9151 6.43377 9.79143 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 7.97049 7.47541 6.9948 10.4545 9.30021 5.62635 numMergedOcc 0
19 mol 85 unq 0 iso 1 dist 7.47541 7.97049 6.9948 10.4545 5.62635 9.30021 numMergedOcc 0
20 mol 85 unq 1 iso 0 dist 6.19965 7.66905 6.9948 12.3178 9.30021 5.62635 numMergedOcc 0
21 mol 85 unq 1 iso 1 dist 7.66905 6.19965 6.9948 12.3178 5.62635 9.30021 numMergedOcc 0
22 mol 88 unq 0 iso 0 dist 9.36773 8.31336 5.57085 6.81076 6.066 9.36032 numMergedOcc 0
23 mol 88 unq 0 iso 1 dist 8.31336 9.36773 5.57085 6.81076 9.36032 6.066 numMergedOcc 0
24 mol 133 unq 0 iso 0 dist 7.11802 8.00618 8.18495 6.56917 9.64695 4.51266 numMergedOcc 0
25 mol 133 unq 0 iso 1 dist 8.00618 7.11802 8.18495 6.56917 4.51266 9.64695 numMergedOcc 0
26 mol 175 unq 0 iso 0 dist 9.0018 5.6234 6.2715 8.19969 5.08591 8.03727 numMergedOcc 0
27 mol 175 unq 0 iso 1 dist 5.6234 9.0018 6.2715 8.19969 8.03727 5.08591 numMergedOcc 0
28 mol 175 unq 1 iso 0 dist 7.652 9.92231 6.2715 5.33769 5.08591 8.03727 numMergedOcc 0
29 mol 175 unq 1 iso 1 dist 9.92231 7.652 6.2715 5.33769 8.03727 5.08591 numMergedOcc 0
30 mol 178 unq 0 iso 0 dist 7.17202 8.81551 5.18005 6.39077 7.12045 8.94945 numMergedOcc 0
31 mol 178 unq 0 iso 1 dist 8.81551 7.17202 5.18005 6.39077 8.94945 7.12045 numMergedOcc 0
32 mol 234 unq 0 iso 0 dist 6.56247 9.45496 5.88703 8.83842 7.72403 6.35438 numMergedOcc 0
33 mol 234 unq 0 iso 1 dist 9.45496 6.56247 5.88703 8.83842 6.35438 7.72403 numMergedOcc 0
34 mol 234 unq 1 iso 0 dist 9.36357 6.7625 5.88703 5.43327 7.72403 6.35438 numMergedOcc 0
35 mol 234 unq 1 iso 1 dist 6.7625 9.36357 5.88703 5.43327 6.35438 7.72403 numMergedOcc 0
36 mol 248 unq 0 iso 0 dist 7.21521 8.2965 5.86196 5.41499 9.12664 6.51383 numMergedOcc 0
37 mol 248 unq 0 iso 1 dist 8.2965 7.21521 5.86196 5.41499 6.51383 9.12664 numMergedOcc 0
