0 mol 7 unq 0 iso 0 dist 6.02702 11.8172 8.72114 10.5551 6.04832 4.87279 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.72114 11.8172 6.02702 4.87279 6.04832 10.5551 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 7.32257 6.14147 6.55811 4.86982 6.17406 9.10873 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 6.55811 6.14147 7.32257 9.10873 6.17406 4.86982 numMergedOcc 0
4 mol 9 unq 1 iso 0 dist 7.32257 6.14147 6.55811 5.72062 7.2707 7.6565 numMergedOcc 0
5 mol 9 unq 1 iso 1 dist 6.55811 6.14147 7.32257 7.6565 7.2707 5.72062 numMergedOcc 0
6 mol 9 unq 2 iso 0 dist 7.32257 10.5747 8.64915 4.86982 6.17406 13.1204 numMergedOcc 0
7 mol 9 unq 2 iso 1 dist 8.64915 10.5747 7.32257 13.1204 6.17406 4.86982 numMergedOcc 0
8 mol 9 unq 3 iso 0 dist 7.32257 10.5747 8.64915 5.72062 7.2707 12.3746 numMergedOcc 0
9 mol 9 unq 3 iso 1 dist 8.64915 10.5747 7.32257 12.3746 7.2707 5.72062 numMergedOcc 0
10 mol 9 unq 2 iso 0 dist 6.55811 5.06358 8.64915 9.10873 6.17406 13.1204 numMergedOcc 0
11 mol 9 unq 2 iso 1 dist 8.64915 5.06358 6.55811 13.1204 6.17406 9.10873 numMergedOcc 0
12 mol 9 unq 3 iso 0 dist 6.55811 5.06358 8.64915 7.6565 7.2707 12.3746 numMergedOcc 0
13 mol 9 unq 3 iso 1 dist 8.64915 5.06358 6.55811 12.3746 7.2707 7.6565 numMergedOcc 0
14 mol 9 unq 4 iso 0 dist 7.36018 5.06358 8.17347 7.6565 8.99816 12.3746 numMergedOcc 0
15 mol 9 unq 4 iso 1 dist 8.17347 5.06358 7.36018 12.3746 8.99816 7.6565 numMergedOcc 0
16 mol 15 unq 0 iso 0 dist 5.89412 11.0528 7.07399 14.8121 9.41935 5.88545 numMergedOcc 0
17 mol 15 unq 0 iso 1 dist 7.07399 11.0528 5.89412 5.88545 9.41935 14.8121 numMergedOcc 0
18 mol 20 unq 0 iso 0 dist 7.51452 16.5895 9.20198 10.0614 6.70097 11.637 numMergedOcc 0
19 mol 20 unq 0 iso 1 dist 9.20198 16.5895 7.51452 11.637 6.70097 10.0614 numMergedOcc 0
20 mol 24 unq 0 iso 0 dist 8.4051 15.5315 7.29868 13.2525 6.23824 4.99125 numMergedOcc 0
21 mol 24 unq 0 iso 1 dist 7.29868 15.5315 8.4051 4.99125 6.23824 13.2525 numMergedOcc 0
22 mol 24 unq 1 iso 0 dist 8.4051 14.6259 8.60554 13.2525 6.23824 11.4659 numMergedOcc 0
23 mol 24 unq 1 iso 1 dist 8.60554 14.6259 8.4051 11.4659 6.23824 13.2525 numMergedOcc 0
24 mol 24 unq 1 iso 0 dist 7.29868 10.0952 8.60554 4.99125 6.23824 11.4659 numMergedOcc 0
25 mol 24 unq 1 iso 1 dist 8.60554 10.0952 7.29868 11.4659 6.23824 4.99125 numMergedOcc 0
26 mol 62 unq 0 iso 0 dist 7.56205 8.62608 4.74544 8.23447 6.18762 5.45674 numMergedOcc 0
27 mol 62 unq 0 iso 1 dist 4.74544 8.62608 7.56205 5.45674 6.18762 8.23447 numMergedOcc 0
28 mol 65 unq 0 iso 0 dist 6.72639 5.48814 6.76508 6.58414 8.76172 4.92177 numMergedOcc 0
29 mol 65 unq 0 iso 1 dist 6.76508 5.48814 6.72639 4.92177 8.76172 6.58414 numMergedOcc 0
30 mol 85 unq 0 iso 0 dist 7.54568 10.1164 9.39864 11.3372 8.60839 4.60756 numMergedOcc 0
31 mol 85 unq 0 iso 1 dist 9.39864 10.1164 7.54568 4.60756 8.60839 11.3372 numMergedOcc 0
32 mol 98 unq 0 iso 0 dist 5.78706 7.51619 7.23884 11.4024 6.90706 8.43357 numMergedOcc 0
33 mol 98 unq 0 iso 1 dist 7.23884 7.51619 5.78706 8.43357 6.90706 11.4024 numMergedOcc 0
34 mol 98 unq 1 iso 0 dist 5.78706 10.6225 5.59328 11.4024 6.90706 5.68803 numMergedOcc 0
35 mol 98 unq 1 iso 1 dist 5.59328 10.6225 5.78706 5.68803 6.90706 11.4024 numMergedOcc 0
36 mol 98 unq 2 iso 0 dist 5.78706 12.7411 7.5242 11.4024 6.90706 5.68885 numMergedOcc 0
37 mol 98 unq 2 iso 1 dist 7.5242 12.7411 5.78706 5.68885 6.90706 11.4024 numMergedOcc 0
38 mol 98 unq 1 iso 0 dist 7.23884 11.4338 5.59328 8.43357 6.90706 5.68803 numMergedOcc 0
39 mol 98 unq 1 iso 1 dist 5.59328 11.4338 7.23884 5.68803 6.90706 8.43357 numMergedOcc 0
40 mol 98 unq 2 iso 0 dist 7.23884 9.30161 7.5242 8.43357 6.90706 5.68885 numMergedOcc 0
41 mol 98 unq 2 iso 1 dist 7.5242 9.30161 7.23884 5.68885 6.90706 8.43357 numMergedOcc 0
42 mol 98 unq 2 iso 0 dist 5.59328 7.72877 7.5242 5.68803 6.90706 5.68885 numMergedOcc 0
43 mol 98 unq 2 iso 1 dist 7.5242 7.72877 5.59328 5.68885 6.90706 5.68803 numMergedOcc 0
44 mol 100 unq 0 iso 0 dist 7.01812 5.88134 8.30845 8.07089 6.84692 12.8256 numMergedOcc 0
45 mol 100 unq 0 iso 1 dist 8.30845 5.88134 7.01812 12.8256 6.84692 8.07089 numMergedOcc 0
46 mol 133 unq 0 iso 0 dist 6.16242 7.81217 5.87634 5.47259 6.49688 4.70102 numMergedOcc 0
47 mol 133 unq 0 iso 1 dist 5.87634 7.81217 6.16242 4.70102 6.49688 5.47259 numMergedOcc 0
48 mol 135 unq 0 iso 0 dist 7.90563 6.57193 8.97655 10.5706 7.83735 11.8378 numMergedOcc 0
49 mol 135 unq 0 iso 1 dist 8.97655 6.57193 7.90563 11.8378 7.83735 10.5706 numMergedOcc 0
50 mol 170 unq 0 iso 0 dist 9.10511 6.52462 6.35982 6.22427 8.20406 9.77705 numMergedOcc 0
51 mol 170 unq 0 iso 1 dist 6.35982 6.52462 9.10511 9.77705 8.20406 6.22427 numMergedOcc 0
52 mol 170 unq 1 iso 0 dist 9.10511 6.52462 6.35982 4.72207 7.19802 5.36359 numMergedOcc 0
53 mol 170 unq 1 iso 1 dist 6.35982 6.52462 9.10511 5.36359 7.19802 4.72207 numMergedOcc 0
54 mol 170 unq 2 iso 0 dist 9.10511 6.52462 6.35982 8.94639 7.75807 8.84552 numMergedOcc 0
55 mol 170 unq 2 iso 1 dist 6.35982 6.52462 9.10511 8.84552 7.75807 8.94639 numMergedOcc 0
56 mol 235 unq 0 iso 0 dist 6.36341 8.31875 6.21292 9.82715 5.3481 6.55862 numMergedOcc 0
57 mol 235 unq 0 iso 1 dist 6.21292 8.31875 6.36341 6.55862 5.3481 9.82715 numMergedOcc 0
58 mol 235 unq 1 iso 0 dist 6.36341 10.5547 9.21736 9.82715 5.3481 6.8239 numMergedOcc 0
59 mol 235 unq 1 iso 1 dist 9.21736 10.5547 6.36341 6.8239 5.3481 9.82715 numMergedOcc 0
60 mol 235 unq 1 iso 0 dist 6.21292 4.53064 9.21736 6.55862 5.3481 6.8239 numMergedOcc 0
61 mol 235 unq 1 iso 1 dist 9.21736 4.53064 6.21292 6.8239 5.3481 6.55862 numMergedOcc 0
62 mol 237 unq 0 iso 0 dist 6.99315 14.5975 9.60163 6.64982 6.21939 12.3471 numMergedOcc 0
63 mol 237 unq 0 iso 1 dist 9.60163 14.5975 6.99315 12.3471 6.21939 6.64982 numMergedOcc 0
64 mol 237 unq 1 iso 0 dist 6.99315 14.5975 9.60163 13.6435 7.00854 5.16634 numMergedOcc 0
65 mol 237 unq 1 iso 1 dist 9.60163 14.5975 6.99315 5.16634 7.00854 13.6435 numMergedOcc 0
66 mol 249 unq 0 iso 0 dist 5.48118 5.3927 7.25858 6.66935 5.72442 5.78976 numMergedOcc 0
67 mol 249 unq 0 iso 1 dist 7.25858 5.3927 5.48118 5.78976 5.72442 6.66935 numMergedOcc 0
68 mol 258 unq 0 iso 0 dist 9.63959 12.4198 9.96262 8.46375 7.05518 7.98112 numMergedOcc 0
69 mol 258 unq 0 iso 1 dist 9.96262 12.4198 9.63959 7.98112 7.05518 8.46375 numMergedOcc 0
70 mol 258 unq 1 iso 0 dist 9.63959 12.321 7.21311 8.46375 7.05518 4.88549 numMergedOcc 0
71 mol 258 unq 1 iso 1 dist 7.21311 12.321 9.63959 4.88549 7.05518 8.46375 numMergedOcc 0
72 mol 258 unq 1 iso 0 dist 9.96262 10.7374 7.21311 7.98112 7.05518 4.88549 numMergedOcc 0
73 mol 258 unq 1 iso 1 dist 7.21311 10.7374 9.96262 4.88549 7.05518 7.98112 numMergedOcc 0
74 mol 273 unq 0 iso 0 dist 8.83865 5.96724 9.18157 9.75887 6.83684 7.29345 numMergedOcc 0
75 mol 273 unq 0 iso 1 dist 9.18157 5.96724 8.83865 7.29345 6.83684 9.75887 numMergedOcc 0
76 mol 274 unq 0 iso 0 dist 7.46394 10.501 9.45514 10.0578 7.1364 10.0247 numMergedOcc 0
77 mol 274 unq 0 iso 1 dist 9.45514 10.501 7.46394 10.0247 7.1364 10.0578 numMergedOcc 0
78 mol 274 unq 1 iso 0 dist 7.46394 14.3919 8.91672 10.0578 7.1364 5.25703 numMergedOcc 0
79 mol 274 unq 1 iso 1 dist 8.91672 14.3919 7.46394 5.25703 7.1364 10.0578 numMergedOcc 0
80 mol 274 unq 2 iso 0 dist 7.46394 6.15918 7.1729 10.0578 7.1364 5.56942 numMergedOcc 0
81 mol 274 unq 2 iso 1 dist 7.1729 6.15918 7.46394 5.56942 7.1364 10.0578 numMergedOcc 0
82 mol 274 unq 1 iso 0 dist 9.45514 11.7196 8.91672 10.0247 7.1364 5.25703 numMergedOcc 0
83 mol 274 unq 1 iso 1 dist 8.91672 11.7196 9.45514 5.25703 7.1364 10.0247 numMergedOcc 0
84 mol 274 unq 2 iso 0 dist 9.45514 6.828 7.1729 10.0247 7.1364 5.56942 numMergedOcc 0
85 mol 274 unq 2 iso 1 dist 7.1729 6.828 9.45514 5.56942 7.1364 10.0247 numMergedOcc 0
86 mol 274 unq 2 iso 0 dist 8.91672 10.0083 7.1729 5.25703 7.1364 5.56942 numMergedOcc 0
87 mol 274 unq 2 iso 1 dist 7.1729 10.0083 8.91672 5.56942 7.1364 5.25703 numMergedOcc 0
88 mol 274 unq 3 iso 0 dist 8.52587 11.3308 6.39866 5.87456 5.0002 6.38211 numMergedOcc 0
89 mol 274 unq 3 iso 1 dist 6.39866 11.3308 8.52587 6.38211 5.0002 5.87456 numMergedOcc 0
