0 mol 24 unq 0 iso 0 dist 6.11056 10.4744 8.86116 6.40447 8.09311 11.6226 3.96014 9.05357 13.1949 9.95274 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.11056 10.4744 8.86116 3.96014 9.05357 13.1949 6.40447 8.09311 11.6226 9.95274 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.11056 6.9756 8.38394 6.40447 8.09311 6.17155 3.96014 9.05357 10.3122 9.95274 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 6.11056 6.9756 8.38394 3.96014 9.05357 10.3122 6.40447 8.09311 6.17155 9.95274 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.40051 13.466 7.57578 6.29702 4.79873 10.2864 13.591 9.48085 5.18617 12.7147 numMergedOcc 0
5 mol 25 unq 0 iso 1 dist 8.40051 13.466 7.57578 13.591 9.48085 5.18617 6.29702 4.79873 10.2864 12.7147 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 8.40051 14.4191 7.17969 6.29702 4.79873 11.4148 13.591 9.48085 5.68041 12.7147 numMergedOcc 0
7 mol 25 unq 1 iso 1 dist 8.40051 14.4191 7.17969 13.591 9.48085 5.68041 6.29702 4.79873 11.4148 12.7147 numMergedOcc 0
8 mol 25 unq 2 iso 0 dist 8.6396 5.8503 5.04899 10.0172 7.52933 5.03027 5.23233 6.55597 4.69295 6.53015 numMergedOcc 0
9 mol 25 unq 2 iso 1 dist 8.6396 5.8503 5.04899 5.23233 6.55597 4.69295 10.0172 7.52933 5.03027 6.53015 numMergedOcc 0
10 mol 25 unq 3 iso 0 dist 8.6396 5.8503 5.04899 10.0172 7.52933 5.03027 13.5673 9.71956 12.2542 11.8984 numMergedOcc 0
11 mol 25 unq 3 iso 1 dist 8.6396 5.8503 5.04899 13.5673 9.71956 12.2542 10.0172 7.52933 5.03027 11.8984 numMergedOcc 0
12 mol 25 unq 4 iso 0 dist 8.6396 5.8503 5.04899 10.0172 7.52933 5.03027 10.4709 7.07751 8.79309 8.64476 numMergedOcc 0
13 mol 25 unq 4 iso 1 dist 8.6396 5.8503 5.04899 10.4709 7.07751 8.79309 10.0172 7.52933 5.03027 8.64476 numMergedOcc 0
14 mol 25 unq 5 iso 0 dist 8.6396 5.8503 5.04899 10.0172 7.52933 5.03027 12.2787 8.23761 8.17061 4.64241 numMergedOcc 0
15 mol 25 unq 5 iso 1 dist 8.6396 5.8503 5.04899 12.2787 8.23761 8.17061 10.0172 7.52933 5.03027 4.64241 numMergedOcc 0
16 mol 25 unq 6 iso 0 dist 8.6396 5.8503 5.04899 10.0172 7.52933 5.03027 13.591 9.49421 13.6145 16.0628 numMergedOcc 0
17 mol 25 unq 6 iso 1 dist 8.6396 5.8503 5.04899 13.591 9.49421 13.6145 10.0172 7.52933 5.03027 16.0628 numMergedOcc 0
18 mol 25 unq 3 iso 0 dist 8.6396 5.8503 5.04899 5.23233 6.55597 4.69295 13.5673 9.71956 12.2542 9.19736 numMergedOcc 0
19 mol 25 unq 3 iso 1 dist 8.6396 5.8503 5.04899 13.5673 9.71956 12.2542 5.23233 6.55597 4.69295 9.19736 numMergedOcc 0
20 mol 25 unq 4 iso 0 dist 8.6396 5.8503 5.04899 5.23233 6.55597 4.69295 10.4709 7.07751 8.79309 5.78812 numMergedOcc 0
21 mol 25 unq 4 iso 1 dist 8.6396 5.8503 5.04899 10.4709 7.07751 8.79309 5.23233 6.55597 4.69295 5.78812 numMergedOcc 0
22 mol 25 unq 5 iso 0 dist 8.6396 5.8503 5.04899 5.23233 6.55597 4.69295 12.2787 8.23761 8.17061 7.36721 numMergedOcc 0
23 mol 25 unq 5 iso 1 dist 8.6396 5.8503 5.04899 12.2787 8.23761 8.17061 5.23233 6.55597 4.69295 7.36721 numMergedOcc 0
24 mol 25 unq 6 iso 0 dist 8.6396 5.8503 5.04899 5.23233 6.55597 4.69295 13.591 9.49421 13.6145 12.1732 numMergedOcc 0
25 mol 25 unq 6 iso 1 dist 8.6396 5.8503 5.04899 13.591 9.49421 13.6145 5.23233 6.55597 4.69295 12.1732 numMergedOcc 0
26 mol 25 unq 4 iso 0 dist 8.6396 5.8503 5.04899 13.5673 9.71956 12.2542 10.4709 7.07751 8.79309 3.56099 numMergedOcc 0
27 mol 25 unq 4 iso 1 dist 8.6396 5.8503 5.04899 10.4709 7.07751 8.79309 13.5673 9.71956 12.2542 3.56099 numMergedOcc 0
28 mol 25 unq 5 iso 0 dist 8.6396 5.8503 5.04899 13.5673 9.71956 12.2542 12.2787 8.23761 8.17061 8.42944 numMergedOcc 0
29 mol 25 unq 5 iso 1 dist 8.6396 5.8503 5.04899 12.2787 8.23761 8.17061 13.5673 9.71956 12.2542 8.42944 numMergedOcc 0
30 mol 25 unq 6 iso 0 dist 8.6396 5.8503 5.04899 13.5673 9.71956 12.2542 13.591 9.49421 13.6145 8.99147 numMergedOcc 0
31 mol 25 unq 6 iso 1 dist 8.6396 5.8503 5.04899 13.591 9.49421 13.6145 13.5673 9.71956 12.2542 8.99147 numMergedOcc 0
32 mol 25 unq 5 iso 0 dist 8.6396 5.8503 5.04899 10.4709 7.07751 8.79309 12.2787 8.23761 8.17061 5.99526 numMergedOcc 0
33 mol 25 unq 5 iso 1 dist 8.6396 5.8503 5.04899 12.2787 8.23761 8.17061 10.4709 7.07751 8.79309 5.99526 numMergedOcc 0
34 mol 25 unq 6 iso 0 dist 8.6396 5.8503 5.04899 10.4709 7.07751 8.79309 13.591 9.49421 13.6145 9.54872 numMergedOcc 0
35 mol 25 unq 6 iso 1 dist 8.6396 5.8503 5.04899 13.591 9.49421 13.6145 10.4709 7.07751 8.79309 9.54872 numMergedOcc 0
36 mol 25 unq 6 iso 0 dist 8.6396 5.8503 5.04899 12.2787 8.23761 8.17061 13.591 9.49421 13.6145 14.6175 numMergedOcc 0
37 mol 25 unq 6 iso 1 dist 8.6396 5.8503 5.04899 13.591 9.49421 13.6145 12.2787 8.23761 8.17061 14.6175 numMergedOcc 0
38 mol 58 unq 0 iso 0 dist 4.88613 5.40367 6.35756 4.99692 8.96727 9.87158 3.70586 8.01308 5.86526 6.20884 numMergedOcc 0
39 mol 58 unq 0 iso 1 dist 4.88613 5.40367 6.35756 3.70586 8.01308 5.86526 4.99692 8.96727 9.87158 6.20884 numMergedOcc 0
40 mol 73 unq 0 iso 0 dist 6.18305 4.69583 6.19304 4.21749 8.68662 6.20232 5.65986 7.4369 5.70116 3.30399 numMergedOcc 0
41 mol 73 unq 0 iso 1 dist 6.18305 4.69583 6.19304 5.65986 7.4369 5.70116 4.21749 8.68662 6.20232 3.30399 numMergedOcc 0
42 mol 95 unq 0 iso 0 dist 9.65047 5.33325 7.27724 8.55456 9.3948 3.94537 3.84879 9.74607 6.12605 8.00584 numMergedOcc 0
43 mol 95 unq 0 iso 1 dist 9.65047 5.33325 7.27724 3.84879 9.74607 6.12605 8.55456 9.3948 3.94537 8.00584 numMergedOcc 0
44 mol 95 unq 1 iso 0 dist 9.65047 5.69671 8.03644 8.55456 9.3948 11.3215 3.84879 9.74607 5.06946 8.00584 numMergedOcc 0
45 mol 95 unq 1 iso 1 dist 9.65047 5.69671 8.03644 3.84879 9.74607 5.06946 8.55456 9.3948 11.3215 8.00584 numMergedOcc 0
46 mol 115 unq 0 iso 0 dist 5.02717 5.28901 7.30858 5.33827 7.69765 10.3209 12.6105 9.42082 15.3161 11.044 numMergedOcc 0
47 mol 115 unq 0 iso 1 dist 5.02717 5.28901 7.30858 12.6105 9.42082 15.3161 5.33827 7.69765 10.3209 11.044 numMergedOcc 0
48 mol 115 unq 1 iso 0 dist 5.02717 6.75472 5.83991 5.33827 7.69765 4.48636 12.6105 9.42082 6.63111 11.044 numMergedOcc 0
49 mol 115 unq 1 iso 1 dist 5.02717 6.75472 5.83991 12.6105 9.42082 6.63111 5.33827 7.69765 4.48636 11.044 numMergedOcc 0
50 mol 115 unq 2 iso 0 dist 5.02717 11.0268 7.88312 5.33827 7.69765 11.835 12.6105 9.42082 6.07067 11.044 numMergedOcc 0
51 mol 115 unq 2 iso 1 dist 5.02717 11.0268 7.88312 12.6105 9.42082 6.07067 5.33827 7.69765 11.835 11.044 numMergedOcc 0
52 mol 129 unq 0 iso 0 dist 9.28278 14.5776 8.54584 9.05571 5.51197 12.1739 14.5546 8.86944 5.63254 9.74141 numMergedOcc 0
53 mol 129 unq 0 iso 1 dist 9.28278 14.5776 8.54584 14.5546 8.86944 5.63254 9.05571 5.51197 12.1739 9.74141 numMergedOcc 0
54 mol 129 unq 1 iso 0 dist 9.28278 14.5776 8.54584 9.05571 5.51197 12.1739 9.63308 6.69691 8.26896 5.94312 numMergedOcc 0
55 mol 129 unq 1 iso 1 dist 9.28278 14.5776 8.54584 9.63308 6.69691 8.26896 9.05571 5.51197 12.1739 5.94312 numMergedOcc 0
56 mol 129 unq 1 iso 0 dist 9.28278 14.5776 8.54584 14.5546 8.86944 5.63254 9.63308 6.69691 8.26896 5.35495 numMergedOcc 0
57 mol 129 unq 1 iso 1 dist 9.28278 14.5776 8.54584 9.63308 6.69691 8.26896 14.5546 8.86944 5.63254 5.35495 numMergedOcc 0
58 mol 134 unq 0 iso 0 dist 9.60411 10.5108 6.37586 11.6349 9.33924 6.95573 3.76211 7.93372 8.06642 11.4107 numMergedOcc 0
59 mol 134 unq 0 iso 1 dist 9.60411 10.5108 6.37586 3.76211 7.93372 8.06642 11.6349 9.33924 6.95573 11.4107 numMergedOcc 0
60 mol 134 unq 1 iso 0 dist 9.60411 6.20443 9.71307 11.6349 9.33924 10.2026 3.76211 7.93372 4.00092 11.4107 numMergedOcc 0
61 mol 134 unq 1 iso 1 dist 9.60411 6.20443 9.71307 3.76211 7.93372 4.00092 11.6349 9.33924 10.2026 11.4107 numMergedOcc 0
62 mol 143 unq 0 iso 0 dist 8.30654 11.3469 5.99315 9.60065 7.36975 13.1926 4.68518 5.40637 7.39837 10.1474 numMergedOcc 0
63 mol 143 unq 0 iso 1 dist 8.30654 11.3469 5.99315 4.68518 5.40637 7.39837 9.60065 7.36975 13.1926 10.1474 numMergedOcc 0
64 mol 181 unq 0 iso 0 dist 9.84952 4.3158 7.81386 7.19461 6.64173 6.8757 9.77747 9.01624 5.71898 11.196 numMergedOcc 0
65 mol 181 unq 0 iso 1 dist 9.84952 4.3158 7.81386 9.77747 9.01624 5.71898 7.19461 6.64173 6.8757 11.196 numMergedOcc 0
66 mol 181 unq 1 iso 0 dist 9.84952 4.3158 7.81386 7.19461 6.64173 6.8757 10.0615 9.55105 5.83796 10.1041 numMergedOcc 0
67 mol 181 unq 1 iso 1 dist 9.84952 4.3158 7.81386 10.0615 9.55105 5.83796 7.19461 6.64173 6.8757 10.1041 numMergedOcc 0
68 mol 181 unq 1 iso 0 dist 9.84952 4.3158 7.81386 9.77747 9.01624 5.71898 10.0615 9.55105 5.83796 3.55187 numMergedOcc 0
69 mol 181 unq 1 iso 1 dist 9.84952 4.3158 7.81386 10.0615 9.55105 5.83796 9.77747 9.01624 5.71898 3.55187 numMergedOcc 0
70 mol 181 unq 2 iso 0 dist 9.84952 12.9554 7.63312 7.19461 6.64173 10.6474 9.77747 9.01624 5.93724 11.196 numMergedOcc 0
71 mol 181 unq 2 iso 1 dist 9.84952 12.9554 7.63312 9.77747 9.01624 5.93724 7.19461 6.64173 10.6474 11.196 numMergedOcc 0
72 mol 181 unq 3 iso 0 dist 9.84952 12.9554 7.63312 7.19461 6.64173 10.6474 10.0615 9.55105 5.12833 10.1041 numMergedOcc 0
73 mol 181 unq 3 iso 1 dist 9.84952 12.9554 7.63312 10.0615 9.55105 5.12833 7.19461 6.64173 10.6474 10.1041 numMergedOcc 0
74 mol 181 unq 3 iso 0 dist 9.84952 12.9554 7.63312 9.77747 9.01624 5.93724 10.0615 9.55105 5.12833 3.55187 numMergedOcc 0
75 mol 181 unq 3 iso 1 dist 9.84952 12.9554 7.63312 10.0615 9.55105 5.12833 9.77747 9.01624 5.93724 3.55187 numMergedOcc 0
76 mol 222 unq 0 iso 0 dist 7.85877 4.82768 7.21333 4.91709 5.56538 6.84862 5.96186 7.48954 9.53117 3.58181 numMergedOcc 0
77 mol 222 unq 0 iso 1 dist 7.85877 4.82768 7.21333 5.96186 7.48954 9.53117 4.91709 5.56538 6.84862 3.58181 numMergedOcc 0
78 mol 259 unq 0 iso 0 dist 9.54857 15.3806 7.46176 5.49348 5.85442 10.067 5.13138 6.95511 11.6988 3.51848 numMergedOcc 0
79 mol 259 unq 0 iso 1 dist 9.54857 15.3806 7.46176 5.13138 6.95511 11.6988 5.49348 5.85442 10.067 3.51848 numMergedOcc 0
80 mol 259 unq 1 iso 0 dist 6.42725 8.70769 5.30224 11.761 8.03219 4.04513 6.09466 6.9899 7.09907 8.0048 numMergedOcc 0
81 mol 259 unq 1 iso 1 dist 6.42725 8.70769 5.30224 6.09466 6.9899 7.09907 11.761 8.03219 4.04513 8.0048 numMergedOcc 0
82 mol 277 unq 0 iso 0 dist 9.29635 10.8075 9.7748 12.7269 9.35539 11.4555 12.2421 8.9682 17.6038 16.9644 numMergedOcc 0
83 mol 277 unq 0 iso 1 dist 9.29635 10.8075 9.7748 12.2421 8.9682 17.6038 12.7269 9.35539 11.4555 16.9644 numMergedOcc 0
84 mol 277 unq 1 iso 0 dist 9.29635 10.8075 9.7748 12.7269 9.35539 11.4555 10.9521 6.92711 14.772 15.8851 numMergedOcc 0
85 mol 277 unq 1 iso 1 dist 9.29635 10.8075 9.7748 10.9521 6.92711 14.772 12.7269 9.35539 11.4555 15.8851 numMergedOcc 0
86 mol 277 unq 1 iso 0 dist 9.29635 10.8075 9.7748 12.2421 8.9682 17.6038 10.9521 6.92711 14.772 3.39114 numMergedOcc 0
87 mol 277 unq 1 iso 1 dist 9.29635 10.8075 9.7748 10.9521 6.92711 14.772 12.2421 8.9682 17.6038 3.39114 numMergedOcc 0
88 mol 292 unq 0 iso 0 dist 9.20416 5.26243 8.2734 8.88312 7.20674 7.8414 12.3704 8.38121 14.179 9.14614 numMergedOcc 0
89 mol 292 unq 0 iso 1 dist 9.20416 5.26243 8.2734 12.3704 8.38121 14.179 8.88312 7.20674 7.8414 9.14614 numMergedOcc 0
90 mol 292 unq 1 iso 0 dist 7.53641 5.58251 8.2734 10.0594 7.20674 7.8414 15.5666 8.38121 14.179 9.14614 numMergedOcc 0
91 mol 292 unq 1 iso 1 dist 7.53641 5.58251 8.2734 15.5666 8.38121 14.179 10.0594 7.20674 7.8414 9.14614 numMergedOcc 0
