0 mol 24 unq 0 iso 0 dist 5.54419 6.6219 4.82629 5.68215 10.1698 10.512 8.23075 6.7846 10.1923 9.24731 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 5.54419 5.68215 10.1698 6.6219 4.82629 10.512 8.23075 6.7846 9.24731 10.1923 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 5.54419 6.6219 4.82629 5.68215 10.1698 10.512 4.7841 8.03955 9.92483 3.53396 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 5.54419 5.68215 10.1698 6.6219 4.82629 10.512 4.7841 8.03955 3.53396 9.92483 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 6.35756 8.96727 9.87158 8.01308 5.86526 6.20884 7.17488 4.59417 10.5853 5.11422 numMergedOcc 0
5 mol 58 unq 0 iso 1 dist 6.35756 8.01308 5.86526 8.96727 9.87158 6.20884 7.17488 4.59417 5.11422 10.5853 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 9.78528 6.21799 7.47371 5.03251 9.67587 3.43675 6.62699 10.7434 4.38233 5.62585 numMergedOcc 0
7 mol 72 unq 0 iso 1 dist 9.78528 5.03251 9.67587 6.21799 7.47371 3.43675 6.62699 10.7434 5.62585 4.38233 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 9.78528 6.21799 7.47371 7.66093 7.07356 5.75711 6.62699 10.7434 4.38233 9.84528 numMergedOcc 0
9 mol 72 unq 1 iso 1 dist 9.78528 7.66093 7.07356 6.21799 7.47371 5.75711 6.62699 10.7434 9.84528 4.38233 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 9.78528 5.03251 9.67587 7.66093 7.07356 5.26077 6.62699 10.7434 5.62585 9.84528 numMergedOcc 0
11 mol 72 unq 1 iso 1 dist 9.78528 7.66093 7.07356 5.03251 9.67587 5.26077 6.62699 10.7434 9.84528 5.62585 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 8.70481 5.5087 11.2069 6.08682 10.6713 5.30471 7.37171 15.1432 10.0644 12.1501 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 8.70481 6.08682 10.6713 5.5087 11.2069 5.30471 7.37171 15.1432 12.1501 10.0644 numMergedOcc 0
14 mol 129 unq 0 iso 0 dist 8.54584 6.69691 8.26896 5.51197 12.1739 5.94312 7.97548 12.5321 9.74071 9.87781 numMergedOcc 0
15 mol 129 unq 0 iso 1 dist 8.54584 5.51197 12.1739 6.69691 8.26896 5.94312 7.97548 12.5321 9.87781 9.74071 numMergedOcc 0
16 mol 129 unq 1 iso 0 dist 8.54584 6.69691 8.26896 5.51197 12.1739 5.94312 9.64164 11.3755 6.92699 9.93375 numMergedOcc 0
17 mol 129 unq 1 iso 1 dist 8.54584 5.51197 12.1739 6.69691 8.26896 5.94312 9.64164 11.3755 9.93375 6.92699 numMergedOcc 0
18 mol 129 unq 2 iso 0 dist 8.54584 6.69691 8.26896 8.86944 5.63254 5.35495 7.97548 12.5321 9.74071 13.8096 numMergedOcc 0
19 mol 129 unq 2 iso 1 dist 8.54584 8.86944 5.63254 6.69691 8.26896 5.35495 7.97548 12.5321 13.8096 9.74071 numMergedOcc 0
20 mol 129 unq 3 iso 0 dist 8.54584 6.69691 8.26896 8.86944 5.63254 5.35495 9.64164 11.3755 6.92699 11.221 numMergedOcc 0
21 mol 129 unq 3 iso 1 dist 8.54584 8.86944 5.63254 6.69691 8.26896 5.35495 9.64164 11.3755 11.221 6.92699 numMergedOcc 0
22 mol 129 unq 2 iso 0 dist 8.54584 5.51197 12.1739 8.86944 5.63254 9.74141 7.97548 12.5321 9.87781 13.8096 numMergedOcc 0
23 mol 129 unq 2 iso 1 dist 8.54584 8.86944 5.63254 5.51197 12.1739 9.74141 7.97548 12.5321 13.8096 9.87781 numMergedOcc 0
24 mol 129 unq 3 iso 0 dist 8.54584 5.51197 12.1739 8.86944 5.63254 9.74141 9.64164 11.3755 9.93375 11.221 numMergedOcc 0
25 mol 129 unq 3 iso 1 dist 8.54584 8.86944 5.63254 5.51197 12.1739 9.74141 9.64164 11.3755 11.221 9.93375 numMergedOcc 0
26 mol 143 unq 0 iso 0 dist 5.99315 7.36975 13.1926 5.40637 7.39837 10.1474 8.99891 9.14188 14.4074 5.94217 numMergedOcc 0
27 mol 143 unq 0 iso 1 dist 5.99315 5.40637 7.39837 7.36975 13.1926 10.1474 8.99891 9.14188 5.94217 14.4074 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 8.56324 6.59889 5.39112 8.9192 4.84714 3.55572 7.55934 9.73449 5.12696 6.04238 numMergedOcc 0
29 mol 152 unq 0 iso 1 dist 8.56324 8.9192 4.84714 6.59889 5.39112 3.55572 7.55934 9.73449 6.04238 5.12696 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 7.81386 6.64173 6.8757 9.01624 5.71898 11.196 8.29467 6.13927 5.09584 11.4645 numMergedOcc 0
31 mol 181 unq 0 iso 1 dist 7.81386 9.01624 5.71898 6.64173 6.8757 11.196 8.29467 6.13927 11.4645 5.09584 numMergedOcc 0
32 mol 181 unq 1 iso 0 dist 7.81386 6.64173 6.8757 9.55105 5.83796 10.1041 8.29467 6.13927 5.09584 11.5807 numMergedOcc 0
33 mol 181 unq 1 iso 1 dist 7.81386 9.55105 5.83796 6.64173 6.8757 10.1041 8.29467 6.13927 11.5807 5.09584 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 7.81386 9.01624 5.71898 9.55105 5.83796 3.55187 8.29467 6.13927 11.4645 11.5807 numMergedOcc 0
35 mol 181 unq 1 iso 1 dist 7.81386 9.55105 5.83796 9.01624 5.71898 3.55187 8.29467 6.13927 11.5807 11.4645 numMergedOcc 0
36 mol 181 unq 2 iso 0 dist 7.63312 6.64173 10.6474 9.01624 5.93724 11.196 8.29467 13.2274 5.09584 11.4645 numMergedOcc 0
37 mol 181 unq 2 iso 1 dist 7.63312 9.01624 5.93724 6.64173 10.6474 11.196 8.29467 13.2274 11.4645 5.09584 numMergedOcc 0
38 mol 181 unq 3 iso 0 dist 7.63312 6.64173 10.6474 9.55105 5.12833 10.1041 8.29467 13.2274 5.09584 11.5807 numMergedOcc 0
39 mol 181 unq 3 iso 1 dist 7.63312 9.55105 5.12833 6.64173 10.6474 10.1041 8.29467 13.2274 11.5807 5.09584 numMergedOcc 0
40 mol 181 unq 3 iso 0 dist 7.63312 9.01624 5.93724 9.55105 5.12833 3.55187 8.29467 13.2274 11.4645 11.5807 numMergedOcc 0
41 mol 181 unq 3 iso 1 dist 7.63312 9.55105 5.12833 9.01624 5.93724 3.55187 8.29467 13.2274 11.5807 11.4645 numMergedOcc 0
42 mol 277 unq 0 iso 0 dist 9.7748 9.35539 11.4555 8.9682 17.6038 16.9644 4.9764 11.8607 13.2853 5.9732 numMergedOcc 0
43 mol 277 unq 0 iso 1 dist 9.7748 8.9682 17.6038 9.35539 11.4555 16.9644 4.9764 11.8607 5.9732 13.2853 numMergedOcc 0
44 mol 277 unq 1 iso 0 dist 9.7748 9.35539 11.4555 8.9682 17.6038 16.9644 6.36559 10.9137 12.4985 8.61922 numMergedOcc 0
45 mol 277 unq 1 iso 1 dist 9.7748 8.9682 17.6038 9.35539 11.4555 16.9644 6.36559 10.9137 8.61922 12.4985 numMergedOcc 0
46 mol 277 unq 2 iso 0 dist 9.7748 9.35539 11.4555 6.92711 14.772 15.8851 4.9764 11.8607 13.2853 3.79766 numMergedOcc 0
47 mol 277 unq 2 iso 1 dist 9.7748 6.92711 14.772 9.35539 11.4555 15.8851 4.9764 11.8607 3.79766 13.2853 numMergedOcc 0
48 mol 277 unq 3 iso 0 dist 9.7748 9.35539 11.4555 6.92711 14.772 15.8851 6.36559 10.9137 12.4985 7.07613 numMergedOcc 0
49 mol 277 unq 3 iso 1 dist 9.7748 6.92711 14.772 9.35539 11.4555 15.8851 6.36559 10.9137 7.07613 12.4985 numMergedOcc 0
50 mol 277 unq 2 iso 0 dist 9.7748 8.9682 17.6038 6.92711 14.772 3.39114 4.9764 11.8607 5.9732 3.79766 numMergedOcc 0
51 mol 277 unq 2 iso 1 dist 9.7748 6.92711 14.772 8.9682 17.6038 3.39114 4.9764 11.8607 3.79766 5.9732 numMergedOcc 0
52 mol 277 unq 3 iso 0 dist 9.7748 8.9682 17.6038 6.92711 14.772 3.39114 6.36559 10.9137 8.61922 7.07613 numMergedOcc 0
53 mol 277 unq 3 iso 1 dist 9.7748 6.92711 14.772 8.9682 17.6038 3.39114 6.36559 10.9137 7.07613 8.61922 numMergedOcc 0
54 mol 292 unq 0 iso 0 dist 8.2734 7.20674 7.8414 8.38121 14.179 9.14614 6.69619 4.02751 8.76061 12.1704 numMergedOcc 0
55 mol 292 unq 0 iso 1 dist 8.2734 8.38121 14.179 7.20674 7.8414 9.14614 6.69619 4.02751 12.1704 8.76061 numMergedOcc 0
56 mol 292 unq 1 iso 0 dist 8.2734 7.20674 7.8414 8.38121 14.179 9.14614 4.49592 5.99797 9.42231 11.9106 numMergedOcc 0
57 mol 292 unq 1 iso 1 dist 8.2734 8.38121 14.179 7.20674 7.8414 9.14614 4.49592 5.99797 11.9106 9.42231 numMergedOcc 0
