0 mol 0 unq 0 iso 0 dist 7.65806 9.99338 4.99728 9.72725 6.0225 7.05033 14.9294 12.8912 8.13129 12.5416 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.65806 9.99338 4.99728 9.72725 6.0225 7.05033 15.247 13.1231 9.07223 15.8082 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 8.41585 6.28925 10.6847 9.87885 12.8323 5.35168 9.0379 16.7601 7.5706 10.25 numMergedOcc 0
3 mol 7 unq 1 iso 0 dist 8.41585 6.28925 10.6847 9.87885 12.8323 5.35168 13.2247 12.2333 8.70159 6.1206 numMergedOcc 0
4 mol 7 unq 2 iso 0 dist 7.10621 8.70159 4.87279 6.1206 7.12508 5.35168 15.4949 11.0773 7.5706 10.25 numMergedOcc 0
5 mol 7 unq 3 iso 0 dist 7.10621 8.70159 4.87279 6.1206 7.12508 5.35168 13.2247 10.5461 6.28925 9.87885 numMergedOcc 0
6 mol 7 unq 4 iso 0 dist 7.10621 8.70159 4.87279 7.67927 11.143 10.1219 15.4949 11.0773 7.5706 13.6071 numMergedOcc 0
7 mol 7 unq 5 iso 0 dist 7.10621 8.70159 4.87279 7.67927 11.143 10.1219 13.2247 10.5461 6.28925 14.1836 numMergedOcc 0
8 mol 43 unq 0 iso 0 dist 5.73819 8.92291 5.54797 6.66407 5.07458 10.0882 5.06502 6.20293 6.79185 10.0168 numMergedOcc 0
9 mol 43 unq 1 iso 0 dist 5.73819 8.92291 5.54797 6.66407 5.07458 10.0882 5.89973 8.93915 8.37962 10.9975 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 9.38498 9.33919 15.9091 9.73086 17.4121 10.4668 5.4148 10.2049 9.79143 7.4369 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 9.38498 9.33919 15.9091 9.73086 17.4121 10.4668 14.9342 20.257 6.43377 12.8207 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 9.96396 9.33919 7.9151 9.73086 5.70116 10.4668 5.4148 6.19304 9.79143 7.4369 numMergedOcc 0
13 mol 73 unq 3 iso 0 dist 9.96396 9.33919 7.9151 9.73086 5.70116 10.4668 14.9342 8.70481 6.43377 12.8207 numMergedOcc 0
14 mol 73 unq 4 iso 0 dist 6.19304 9.79143 7.9151 8.68662 6.20232 12.8099 5.4148 9.96396 9.33919 12.2276 numMergedOcc 0
15 mol 73 unq 5 iso 0 dist 6.19304 9.79143 7.9151 8.68662 6.20232 12.8099 13.3558 8.70481 6.43377 13.8931 numMergedOcc 0
16 mol 73 unq 6 iso 0 dist 6.19304 9.79143 7.9151 7.4369 5.70116 10.4668 5.4148 9.96396 9.33919 9.73086 numMergedOcc 0
17 mol 73 unq 7 iso 0 dist 6.19304 9.79143 7.9151 7.4369 5.70116 10.4668 13.3558 8.70481 6.43377 12.8207 numMergedOcc 0
18 mol 73 unq 8 iso 0 dist 8.70481 6.43377 7.9151 5.5087 11.2069 4.25755 14.9342 9.96396 9.33919 13.3207 numMergedOcc 0
19 mol 73 unq 9 iso 0 dist 8.70481 6.43377 7.9151 5.5087 11.2069 4.25755 13.3558 6.19304 9.79143 13.8368 numMergedOcc 0
20 mol 73 unq 10 iso 0 dist 8.70481 6.43377 7.9151 6.08682 10.6713 6.08046 14.9342 9.96396 9.33919 14.498 numMergedOcc 0
21 mol 73 unq 11 iso 0 dist 8.70481 6.43377 7.9151 6.08682 10.6713 6.08046 13.3558 6.19304 9.79143 14.5999 numMergedOcc 0
22 mol 73 unq 12 iso 0 dist 9.75218 9.33919 5.44172 9.73086 14.844 10.4668 5.4148 11.6369 9.79143 7.4369 numMergedOcc 0
23 mol 73 unq 13 iso 0 dist 9.75218 9.33919 5.44172 9.73086 14.844 10.4668 14.9342 10.1207 6.43377 12.8207 numMergedOcc 0
24 mol 86 unq 0 iso 0 dist 9.5497 6.81209 7.71512 7.90423 6.98209 11.0058 12.6999 15.0892 7.73058 18.5932 numMergedOcc 0
25 mol 86 unq 1 iso 0 dist 9.5497 6.81209 7.71512 7.90423 6.98209 11.0058 7.03817 15.0261 8.54122 14.7611 numMergedOcc 0
26 mol 88 unq 0 iso 0 dist 9.36773 6.066 6.81076 7.80898 12.1193 6.29943 5.57085 8.31336 9.36032 12.785 numMergedOcc 0
27 mol 88 unq 1 iso 0 dist 9.36773 6.066 6.81076 7.80898 12.1193 6.29943 9.94966 10.3436 8.3592 13.6401 numMergedOcc 0
28 mol 100 unq 0 iso 0 dist 8.87449 4.5985 5.1283 9.90751 9.72773 10.3433 10.8586 10.9461 8.20656 15.6594 numMergedOcc 0
29 mol 100 unq 1 iso 0 dist 8.87449 4.5985 5.1283 9.21662 9.39125 8.59989 10.8586 10.9461 8.20656 10.5432 numMergedOcc 0
30 mol 119 unq 0 iso 0 dist 8.73993 6.69217 11.3981 7.64052 9.68677 10.9729 9.93257 16.4353 9.70093 8.95212 numMergedOcc 0
31 mol 119 unq 1 iso 0 dist 6.18601 9.70093 10.6133 8.95212 4.39676 10.9729 9.93257 9.72413 6.69217 7.64052 numMergedOcc 0
32 mol 133 unq 0 iso 0 dist 6.29155 4.51266 5.47259 8.77023 13.0405 13.2024 8.18495 13.268 9.64695 12.5855 numMergedOcc 0
33 mol 133 unq 1 iso 0 dist 6.80239 4.51266 4.70102 8.77023 13.7612 13.2024 8.18495 12.6651 9.64695 12.5855 numMergedOcc 0
34 mol 133 unq 2 iso 0 dist 8.00618 4.51266 6.56917 8.77023 15.0115 13.2024 8.18495 7.11802 9.64695 12.5855 numMergedOcc 0
35 mol 234 unq 0 iso 0 dist 9.45496 6.35438 8.83842 7.81215 12.4252 4.76962 5.88703 6.56247 7.72403 11.6391 numMergedOcc 0
36 mol 234 unq 1 iso 0 dist 9.45496 6.35438 8.83842 7.81215 12.4252 4.76962 10.2693 17.458 9.57132 5.64285 numMergedOcc 0
37 mol 234 unq 2 iso 0 dist 6.7625 6.35438 5.43327 7.81215 5.75498 4.76962 5.88703 9.36357 7.72403 11.6391 numMergedOcc 0
38 mol 234 unq 3 iso 0 dist 6.7625 6.35438 5.43327 7.81215 5.75498 4.76962 10.2693 10.701 9.57132 5.64285 numMergedOcc 0
39 mol 239 unq 0 iso 0 dist 6.16342 5.45139 4.86449 6.73665 10.6736 7.77371 12.7454 11.8467 8.10769 13.4991 numMergedOcc 0
