0 mol 7 unq 0 iso 0 dist 5.51421 10.6104 8.41585 4.7739 5.99459 6.88805 3.52338 7.78327 13.5229 7.00508 numMergedOcc 0
1 mol 38 unq 0 iso 0 dist 5.73067 5.79134 7.50293 5.96514 7.26639 4.40004 3.47751 8.83233 7.63536 8.71152 numMergedOcc 0
2 mol 38 unq 1 iso 0 dist 5.73067 5.48241 9.91611 5.96514 7.26639 8.68364 3.47751 8.83233 4.04384 8.71152 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 4.88613 5.40367 6.35756 4.99692 8.96727 9.87158 6.09663 7.17488 4.59417 10.5853 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 4.88613 5.40367 6.35756 3.70586 8.01308 5.86526 6.09663 7.17488 4.59417 5.11422 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 6.58793 10.1919 7.95579 6.97936 7.7068 6.36397 12.1387 8.04242 5.76272 11.1225 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 6.58793 9.21014 6.19965 6.97936 7.7068 4.41789 12.1387 8.04242 8.18948 11.1225 numMergedOcc 0
7 mol 85 unq 2 iso 0 dist 6.58793 7.83419 7.66905 6.97936 7.7068 5.59906 12.1387 8.04242 14.113 11.1225 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 9.72689 13.7794 9.36773 10.0429 7.80898 12.1193 3.48087 9.07128 10.8406 9.11654 numMergedOcc 0
9 mol 88 unq 1 iso 0 dist 9.72689 13.7794 9.36773 10.0429 7.80898 12.1193 10.0091 6.65615 4.47193 10.8983 numMergedOcc 0
10 mol 88 unq 2 iso 0 dist 7.74197 4.0486 9.36773 11.151 7.80898 12.1193 12.4888 9.07128 10.8406 9.11654 numMergedOcc 0
11 mol 88 unq 3 iso 0 dist 7.74197 4.0486 9.36773 11.151 7.80898 12.1193 6.15983 6.65615 4.47193 10.8983 numMergedOcc 0
12 mol 113 unq 0 iso 0 dist 8.89481 4.36935 5.86073 7.09333 8.80934 5.70579 5.96967 7.02367 5.37655 3.52445 numMergedOcc 0
13 mol 113 unq 1 iso 0 dist 8.89481 4.36935 5.86073 7.09333 8.80934 5.70579 7.52951 9.30832 5.46207 10.4701 numMergedOcc 0
14 mol 122 unq 0 iso 0 dist 6.78949 7.54208 8.37808 4.78332 6.00603 6.15636 6.80573 4.42563 7.90729 3.17342 numMergedOcc 0
15 mol 122 unq 1 iso 0 dist 9.40018 11.0216 8.37808 12.4857 6.00603 6.15636 12.9961 4.42563 7.90729 3.17342 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 9.28278 14.5776 8.54584 9.05571 5.51197 12.1739 3.54691 7.97548 12.5321 9.87781 numMergedOcc 0
17 mol 129 unq 1 iso 0 dist 9.28278 14.5776 8.54584 9.05571 5.51197 12.1739 5.56761 9.64164 11.3755 9.93375 numMergedOcc 0
18 mol 129 unq 2 iso 0 dist 9.28278 14.5776 8.54584 14.5546 8.86944 5.63254 3.54691 7.97548 12.5321 13.8096 numMergedOcc 0
19 mol 129 unq 3 iso 0 dist 9.28278 14.5776 8.54584 14.5546 8.86944 5.63254 5.56761 9.64164 11.3755 11.221 numMergedOcc 0
20 mol 129 unq 4 iso 0 dist 9.28278 14.5776 8.54584 9.63308 6.69691 8.26896 3.54691 7.97548 12.5321 9.74071 numMergedOcc 0
21 mol 129 unq 5 iso 0 dist 9.28278 14.5776 8.54584 9.63308 6.69691 8.26896 5.56761 9.64164 11.3755 6.92699 numMergedOcc 0
22 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 9.60065 7.36975 13.1926 9.81306 8.99891 9.14188 14.4074 numMergedOcc 0
23 mol 143 unq 1 iso 0 dist 8.30654 11.3469 5.99315 4.68518 5.40637 7.39837 9.81306 8.99891 9.14188 5.94217 numMergedOcc 0
24 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 7.19461 6.64173 6.8757 3.59953 8.29467 6.13927 5.09584 numMergedOcc 0
25 mol 181 unq 1 iso 0 dist 9.84952 4.3158 7.81386 9.77747 9.01624 5.71898 3.59953 8.29467 6.13927 11.4645 numMergedOcc 0
26 mol 181 unq 2 iso 0 dist 9.84952 4.3158 7.81386 10.0615 9.55105 5.83796 3.59953 8.29467 6.13927 11.5807 numMergedOcc 0
27 mol 181 unq 3 iso 0 dist 9.84952 12.9554 7.63312 7.19461 6.64173 10.6474 3.59953 8.29467 13.2274 5.09584 numMergedOcc 0
28 mol 181 unq 4 iso 0 dist 9.84952 12.9554 7.63312 9.77747 9.01624 5.93724 3.59953 8.29467 13.2274 11.4645 numMergedOcc 0
29 mol 181 unq 5 iso 0 dist 9.84952 12.9554 7.63312 10.0615 9.55105 5.12833 3.59953 8.29467 13.2274 11.5807 numMergedOcc 0
30 mol 277 unq 0 iso 0 dist 9.29635 10.8075 9.7748 12.7269 9.35539 11.4555 7.31817 4.9764 11.8607 13.2853 numMergedOcc 0
31 mol 277 unq 1 iso 0 dist 9.29635 10.8075 9.7748 12.7269 9.35539 11.4555 3.91224 6.36559 10.9137 12.4985 numMergedOcc 0
32 mol 277 unq 2 iso 0 dist 9.29635 10.8075 9.7748 12.2421 8.9682 17.6038 7.31817 4.9764 11.8607 5.9732 numMergedOcc 0
33 mol 277 unq 3 iso 0 dist 9.29635 10.8075 9.7748 12.2421 8.9682 17.6038 3.91224 6.36559 10.9137 8.61922 numMergedOcc 0
34 mol 277 unq 4 iso 0 dist 9.29635 10.8075 9.7748 10.9521 6.92711 14.772 7.31817 4.9764 11.8607 3.79766 numMergedOcc 0
35 mol 277 unq 5 iso 0 dist 9.29635 10.8075 9.7748 10.9521 6.92711 14.772 3.91224 6.36559 10.9137 7.07613 numMergedOcc 0
36 mol 292 unq 0 iso 0 dist 9.20416 5.26243 8.2734 8.88312 7.20674 7.8414 3.64117 6.69619 4.02751 8.76061 numMergedOcc 0
37 mol 292 unq 1 iso 0 dist 9.20416 5.26243 8.2734 8.88312 7.20674 7.8414 7.30677 4.49592 5.99797 9.42231 numMergedOcc 0
38 mol 292 unq 2 iso 0 dist 9.20416 5.26243 8.2734 12.3704 8.38121 14.179 3.64117 6.69619 4.02751 12.1704 numMergedOcc 0
39 mol 292 unq 3 iso 0 dist 9.20416 5.26243 8.2734 12.3704 8.38121 14.179 7.30677 4.49592 5.99797 11.9106 numMergedOcc 0
40 mol 292 unq 4 iso 0 dist 7.53641 5.58251 8.2734 10.0594 7.20674 7.8414 6.97445 6.69619 4.02751 8.76061 numMergedOcc 0
41 mol 292 unq 5 iso 0 dist 7.53641 5.58251 8.2734 10.0594 7.20674 7.8414 5.33412 4.49592 5.99797 9.42231 numMergedOcc 0
42 mol 292 unq 6 iso 0 dist 7.53641 5.58251 8.2734 15.5666 8.38121 14.179 6.97445 6.69619 4.02751 12.1704 numMergedOcc 0
43 mol 292 unq 7 iso 0 dist 7.53641 5.58251 8.2734 15.5666 8.38121 14.179 5.33412 4.49592 5.99797 11.9106 numMergedOcc 0
