0 mol 0 unq 0 iso 0 dist 8.82108 4.18909 5.83173 8.82652 5.22416 5.88757 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 8.82108 12.7194 9.94248 8.82652 5.22416 8.66548 numMergedOcc 0
2 mol 0 unq 2 iso 0 dist 8.90148 4.18909 8.903 8.82652 9.94405 5.88757 numMergedOcc 0
3 mol 0 unq 3 iso 0 dist 9.59745 6.35639 5.83173 11.2849 5.22416 5.88757 numMergedOcc 0
4 mol 0 unq 4 iso 0 dist 9.59745 8.87052 9.94248 11.2849 5.22416 8.66548 numMergedOcc 0
5 mol 72 unq 0 iso 0 dist 6.89934 4.46486 6.98936 10.7628 4.85561 8.8184 numMergedOcc 0
6 mol 72 unq 1 iso 0 dist 6.89934 4.46486 6.98936 9.8279 7.32565 6.1906 numMergedOcc 0
7 mol 72 unq 2 iso 0 dist 6.89934 4.46486 6.98936 13.002 11.2637 8.70809 numMergedOcc 0
8 mol 72 unq 3 iso 0 dist 6.89934 4.46486 6.98936 12.0741 11.7229 7.67686 numMergedOcc 0
9 mol 72 unq 4 iso 0 dist 6.89934 6.58795 6.13507 10.7628 4.85561 7.93683 numMergedOcc 0
10 mol 72 unq 5 iso 0 dist 6.89934 6.58795 6.13507 9.8279 7.32565 6.7272 numMergedOcc 0
11 mol 72 unq 6 iso 0 dist 6.89934 6.58795 6.13507 11.7035 5.72303 7.64009 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 6.33658 5.19762 7.45683 9.79486 6.21998 6.84165 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 4.83134 6.24842 8.25207 12.0367 10.5534 9.10003 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 5.17734 9.07684 8.25207 14.6699 10.5534 9.10003 numMergedOcc 0
15 mol 133 unq 3 iso 0 dist 5.12189 8.01541 8.49888 5.9959 6.95933 8.50705 numMergedOcc 0
16 mol 133 unq 4 iso 0 dist 7.50911 7.97969 8.49888 12.698 6.95933 8.50705 numMergedOcc 0
17 mol 134 unq 0 iso 0 dist 5.33543 5.43722 8.33489 5.20195 4.56331 5.52149 numMergedOcc 0
18 mol 135 unq 0 iso 0 dist 6.76073 8.11397 9.16513 15.1475 11.4806 9.09753 numMergedOcc 0
19 mol 135 unq 1 iso 0 dist 6.76073 8.11397 9.16513 12.5303 8.91766 7.6337 numMergedOcc 0
20 mol 182 unq 0 iso 0 dist 8.94671 14.6819 9.23118 16.8692 9.16709 5.73635 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 9.81136 15.9026 6.35728 10.1284 4.112 8.70987 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 7.57716 6.68039 9.55672 10.1837 7.1165 8.09249 numMergedOcc 0
23 mol 254 unq 0 iso 0 dist 9.36171 15.4999 9.89583 21.5375 12.6474 9.66641 numMergedOcc 0
24 mol 254 unq 1 iso 0 dist 9.36171 15.4999 9.89583 20.6069 11.8689 9.26575 numMergedOcc 0
25 mol 254 unq 2 iso 0 dist 9.75152 9.73337 9.89583 8.98141 12.6474 9.66641 numMergedOcc 0
26 mol 254 unq 3 iso 0 dist 9.75152 9.73337 9.89583 11.0421 11.8689 9.26575 numMergedOcc 0
27 mol 254 unq 4 iso 0 dist 6.76462 5.86084 9.89583 10.0135 12.6474 9.66641 numMergedOcc 0
28 mol 254 unq 5 iso 0 dist 6.76462 5.86084 9.89583 10.6628 11.8689 9.26575 numMergedOcc 0
29 mol 254 unq 6 iso 0 dist 9.03739 5.61942 9.89583 14.1462 12.6474 9.66641 numMergedOcc 0
30 mol 254 unq 7 iso 0 dist 9.03739 5.61942 9.89583 14.0302 11.8689 9.26575 numMergedOcc 0
31 mol 254 unq 8 iso 0 dist 7.53352 12.4482 9.89583 16.5269 12.6474 9.66641 numMergedOcc 0
32 mol 254 unq 9 iso 0 dist 7.53352 12.4482 9.89583 14.2557 11.8689 9.26575 numMergedOcc 0
33 mol 260 unq 0 iso 0 dist 8.13696 8.59973 7.469 14.9683 10.9782 8.5613 numMergedOcc 0
34 mol 274 unq 0 iso 0 dist 7.21004 13.3277 9.36111 20.228 14.2747 8.69686 numMergedOcc 0
35 mol 274 unq 1 iso 0 dist 8.75703 6.1159 9.36111 12.5089 14.2747 8.69686 numMergedOcc 0
36 mol 282 unq 0 iso 0 dist 5.62497 4.91806 5.2527 11.0043 6.51505 7.52924 numMergedOcc 0
