0 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 7.95042 5.69214 4.47891 8.66248 7.49157 9.41655 12.089 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.86014 6.60423 6.00575 7.95042 5.69214 4.47891 6.73521 7.73794 6.803 10.4905 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.80331 9.93832 9.06158 6.6263 5.41726 4.55347 12.6657 9.02471 17.0111 12.649 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 6.20293 8.60739 9.06158 6.75943 5.41726 4.55347 14.0654 9.02471 17.0111 12.649 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 7.58835 9.44459 11.6164 9.33906 5.1274 10.7651 5.84319 8.27463 13.3301 12.4561 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 9.38498 7.04044 15.7304 9.73086 17.4121 7.8972 4.73407 6.23522 11.3605 11.6307 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 7.95579 7.33422 6.82174 7.7068 6.36397 6.33204 8.37717 9.01812 12.1427 13.4949 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 7.71338 6.47042 10.0814 8.47988 6.95317 8.90959 4.69658 6.87434 9.34689 5.92828 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 7.71338 6.47042 10.0814 8.0427 7.57713 4.4941 4.69658 6.87434 9.34689 9.1247 numMergedOcc 0
9 mol 142 unq 0 iso 0 dist 9.2313 9.17106 12.6057 7.81207 4.67662 9.38687 4.05822 8.04118 9.80578 5.42679 numMergedOcc 0
10 mol 142 unq 1 iso 0 dist 9.2313 9.17106 12.6057 7.18002 13.5913 11.093 4.05822 8.04118 9.80578 11.1832 numMergedOcc 0
11 mol 142 unq 2 iso 0 dist 7.73169 9.17106 8.38032 7.81207 5.81599 9.38687 4.05822 8.39035 9.80578 5.42679 numMergedOcc 0
12 mol 142 unq 3 iso 0 dist 7.73169 9.17106 8.38032 7.18002 9.99555 11.093 4.05822 8.39035 9.80578 11.1832 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 5.99315 8.41611 12.7056 7.36975 13.1926 9.05786 6.75249 8.64905 7.22 11.7801 numMergedOcc 0
14 mol 143 unq 1 iso 0 dist 5.99315 8.41611 12.7056 5.40637 7.39837 6.16103 6.75249 8.64905 7.22 6.60366 numMergedOcc 0
15 mol 143 unq 2 iso 0 dist 5.99315 7.63338 12.8872 7.36975 13.1926 3.75378 6.75249 8.64905 12.0797 11.7801 numMergedOcc 0
16 mol 143 unq 3 iso 0 dist 5.99315 7.63338 12.8872 5.40637 7.39837 8.4697 6.75249 8.64905 12.0797 6.60366 numMergedOcc 0
17 mol 143 unq 4 iso 0 dist 5.99315 9.03707 7.76364 7.36975 13.1926 14.0356 6.75249 8.64905 11.1688 11.7801 numMergedOcc 0
18 mol 143 unq 5 iso 0 dist 5.99315 9.03707 7.76364 5.40637 7.39837 5.41614 6.75249 8.64905 11.1688 6.60366 numMergedOcc 0
19 mol 143 unq 6 iso 0 dist 5.99315 7.25673 9.23795 7.36975 13.1926 9.30534 6.75249 8.64905 12.5626 11.7801 numMergedOcc 0
20 mol 143 unq 7 iso 0 dist 5.99315 7.25673 9.23795 5.40637 7.39837 6.78032 6.75249 8.64905 12.5626 6.60366 numMergedOcc 0
21 mol 152 unq 0 iso 0 dist 5.87555 8.28642 5.70788 6.70693 4.94983 4.71678 4.68615 6.79114 7.34557 8.60651 numMergedOcc 0
22 mol 152 unq 1 iso 0 dist 5.87555 8.28642 5.70788 6.70693 4.94983 4.71678 4.73288 7.59457 11.5228 10.6225 numMergedOcc 0
23 mol 152 unq 2 iso 0 dist 8.56324 9.77552 9.35627 6.59889 5.39112 4.71678 12.2243 9.00072 11.5228 10.6225 numMergedOcc 0
24 mol 152 unq 3 iso 0 dist 8.56324 9.77552 9.35627 8.9192 4.84714 7.11377 12.2243 9.00072 11.5228 12.4493 numMergedOcc 0
25 mol 152 unq 4 iso 0 dist 6.70283 8.28642 9.35627 6.70693 5.39112 4.71678 4.73288 9.00072 11.5228 10.6225 numMergedOcc 0
26 mol 152 unq 5 iso 0 dist 8.67331 8.28642 11.2078 6.70693 9.67475 4.71678 4.73288 7.55419 11.5228 10.6225 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 5.30224 8.59697 7.31951 8.03219 4.04513 4.67584 5.96249 9.18798 13.8208 12.3781 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 5.30224 8.59697 7.31951 8.03219 4.04513 4.67584 5.97386 8.25897 14.1339 12.1864 numMergedOcc 0
29 mol 259 unq 2 iso 0 dist 5.30224 8.59697 7.31951 6.9899 7.09907 7.32929 5.96249 9.18798 13.8208 12.745 numMergedOcc 0
30 mol 259 unq 3 iso 0 dist 5.30224 8.59697 7.31951 6.9899 7.09907 7.32929 5.97386 8.25897 14.1339 10.838 numMergedOcc 0
