0 mol 24 unq 0 iso 0 dist 6.11056 8.94703 4.79736 10.4744 8.86116 12.3058 6.40447 8.09311 7.77964 11.6226 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.11056 8.94703 4.79736 10.4744 8.86116 12.3058 3.96014 9.05357 12.1034 13.1949 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.11056 8.94703 4.79736 6.9756 8.38394 10.6772 6.40447 8.09311 7.77964 6.17155 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.11056 8.94703 4.79736 6.9756 8.38394 10.6772 3.96014 9.05357 12.1034 10.3122 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.40051 5.77745 5.63212 13.466 7.57578 10.9703 6.29702 4.79873 7.44277 10.2864 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 8.40051 5.77745 5.63212 13.466 7.57578 10.9703 13.591 9.48085 10.156 5.18617 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 8.40051 5.77745 5.63212 14.4191 7.17969 10.3338 6.29702 4.79873 7.44277 11.4148 numMergedOcc 0
7 mol 25 unq 3 iso 0 dist 8.40051 5.77745 5.63212 14.4191 7.17969 10.3338 13.591 9.48085 10.156 5.68041 numMergedOcc 0
8 mol 25 unq 4 iso 0 dist 8.6396 5.77745 6.47509 5.8503 5.04899 7.05196 10.0172 7.52933 11.842 5.03027 numMergedOcc 0
9 mol 25 unq 5 iso 0 dist 8.6396 5.77745 6.47509 5.8503 5.04899 7.05196 5.23233 6.55597 8.07318 4.69295 numMergedOcc 0
10 mol 25 unq 6 iso 0 dist 8.6396 5.77745 6.47509 5.8503 5.04899 7.05196 13.5673 9.71956 13.5069 12.2542 numMergedOcc 0
11 mol 25 unq 7 iso 0 dist 8.6396 5.77745 6.47509 5.8503 5.04899 7.05196 10.4709 7.07751 10.9998 8.79309 numMergedOcc 0
12 mol 25 unq 8 iso 0 dist 8.6396 5.77745 6.47509 5.8503 5.04899 7.05196 12.2787 8.23761 13.599 8.17061 numMergedOcc 0
13 mol 25 unq 9 iso 0 dist 8.6396 5.77745 6.47509 5.8503 5.04899 7.05196 13.591 9.49421 10.156 13.6145 numMergedOcc 0
14 mol 25 unq 10 iso 0 dist 7.63928 8.27137 14.321 6.17631 6.03987 11.4732 4.88495 7.99919 11.8043 4.77954 numMergedOcc 0
15 mol 56 unq 0 iso 0 dist 7.20538 7.93171 9.96534 6.93876 8.66265 13.2483 7.2452 9.03564 8.77529 6.75591 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 6.36193 8.85156 4.23671 5.40367 6.62496 10.2845 4.99692 9.22598 10.9762 9.87158 numMergedOcc 0
17 mol 58 unq 1 iso 0 dist 4.88613 8.85156 5.6823 5.40367 6.35756 10.2845 4.99692 8.96727 10.9762 9.87158 numMergedOcc 0
18 mol 58 unq 2 iso 0 dist 4.88613 8.85156 5.6823 5.40367 6.35756 10.2845 3.70586 8.01308 12.4865 5.86526 numMergedOcc 0
19 mol 76 unq 0 iso 0 dist 6.4551 6.63973 6.77898 8.78063 6.97941 9.76346 5.79134 9.6952 11.8245 8.66662 numMergedOcc 0
20 mol 95 unq 0 iso 0 dist 9.65047 9.70292 14.2178 5.33325 7.27724 14.1515 8.55456 9.3948 17.8653 3.94537 numMergedOcc 0
21 mol 95 unq 1 iso 0 dist 9.65047 9.70292 14.2178 5.33325 7.27724 14.1515 3.84879 9.74607 11.7225 6.12605 numMergedOcc 0
22 mol 95 unq 2 iso 0 dist 9.65047 9.70292 14.2178 5.69671 8.03644 8.57395 8.55456 9.3948 17.8653 11.3215 numMergedOcc 0
23 mol 95 unq 3 iso 0 dist 9.65047 9.70292 14.2178 5.69671 8.03644 8.57395 3.84879 9.74607 11.7225 5.06946 numMergedOcc 0
24 mol 95 unq 4 iso 0 dist 9.65047 9.59704 8.78079 5.33325 7.27724 10.3132 8.55456 9.3948 14.0648 3.94537 numMergedOcc 0
25 mol 95 unq 5 iso 0 dist 9.65047 9.59704 8.78079 5.33325 7.27724 10.3132 3.84879 9.74607 12.4057 6.12605 numMergedOcc 0
26 mol 95 unq 6 iso 0 dist 9.65047 9.59704 8.78079 5.69671 8.03644 9.85409 8.55456 9.3948 14.0648 11.3215 numMergedOcc 0
27 mol 95 unq 7 iso 0 dist 9.65047 9.59704 8.78079 5.69671 8.03644 9.85409 3.84879 9.74607 12.4057 5.06946 numMergedOcc 0
28 mol 109 unq 0 iso 0 dist 8.3164 9.94704 5.00433 11.5656 8.69985 8.52024 8.08642 7.07971 9.09348 4.69373 numMergedOcc 0
29 mol 109 unq 1 iso 0 dist 8.3164 8.30089 6.35679 11.5656 8.69985 14.6042 8.08642 7.07971 12.0841 4.69373 numMergedOcc 0
30 mol 115 unq 0 iso 0 dist 5.02717 6.31773 5.03039 5.28901 7.30858 6.04595 5.33827 7.69765 10.9431 10.3209 numMergedOcc 0
31 mol 115 unq 1 iso 0 dist 5.02717 6.31773 5.03039 5.28901 7.30858 6.04595 12.6105 9.42082 14.3113 15.3161 numMergedOcc 0
32 mol 115 unq 2 iso 0 dist 5.02717 6.31773 5.03039 6.75472 5.83991 10.5599 5.33827 7.69765 10.9431 4.48636 numMergedOcc 0
33 mol 115 unq 3 iso 0 dist 5.02717 6.31773 5.03039 6.75472 5.83991 10.5599 12.6105 9.42082 14.3113 6.63111 numMergedOcc 0
34 mol 115 unq 4 iso 0 dist 5.02717 6.31773 5.03039 11.0268 7.88312 11.8378 5.33827 7.69765 10.9431 11.835 numMergedOcc 0
35 mol 115 unq 5 iso 0 dist 5.02717 6.31773 5.03039 11.0268 7.88312 11.8378 12.6105 9.42082 14.3113 6.07067 numMergedOcc 0
36 mol 117 unq 0 iso 0 dist 6.90827 6.78655 3.55765 10.4485 7.90328 10.4223 5.61881 8.84018 10.2505 7.20875 numMergedOcc 0
37 mol 117 unq 1 iso 0 dist 6.90827 6.78655 3.55765 5.27151 7.83136 8.19331 5.61881 8.84018 10.2505 3.77029 numMergedOcc 0
38 mol 117 unq 2 iso 0 dist 6.90827 6.78655 3.55765 4.45276 7.0603 8.85711 5.61881 8.84018 10.2505 5.21535 numMergedOcc 0
39 mol 117 unq 3 iso 0 dist 8.90977 9.42037 3.55765 13.8755 7.90328 10.4223 9.58747 8.84018 10.2505 7.20875 numMergedOcc 0
40 mol 117 unq 4 iso 0 dist 8.90977 9.42037 3.55765 10.6616 7.83136 8.19331 9.58747 8.84018 10.2505 3.77029 numMergedOcc 0
41 mol 117 unq 5 iso 0 dist 8.90977 9.42037 3.55765 4.98254 7.0603 8.85711 9.58747 8.84018 10.2505 5.21535 numMergedOcc 0
42 mol 119 unq 0 iso 0 dist 6.18763 9.10803 9.85023 5.3154 6.18601 13.6983 5.92411 8.95212 14.339 4.39676 numMergedOcc 0
43 mol 119 unq 1 iso 0 dist 8.44385 9.10803 12.4829 12.1192 9.87172 20.14 5.92411 6.99446 14.339 6.20019 numMergedOcc 0
44 mol 119 unq 2 iso 0 dist 5.63005 9.10803 8.84069 10.5268 8.73993 16.2889 5.92411 7.64052 14.339 9.68677 numMergedOcc 0
45 mol 134 unq 0 iso 0 dist 9.55556 8.78303 7.41373 11.9294 8.94367 9.33094 4.63732 7.21868 8.62504 8.06642 numMergedOcc 0
46 mol 134 unq 1 iso 0 dist 9.55556 8.78303 7.41373 6.36794 9.86662 8.69531 4.63732 7.21868 8.62504 4.00092 numMergedOcc 0
47 mol 222 unq 0 iso 0 dist 7.85877 8.86886 8.34852 4.82768 7.21333 12.0171 4.91709 5.56538 8.14294 6.84862 numMergedOcc 0
48 mol 222 unq 1 iso 0 dist 7.85877 8.86886 8.34852 4.82768 7.21333 12.0171 5.96186 7.48954 5.72 9.53117 numMergedOcc 0
