0 mol 25 unq 0 iso 0 dist 9.07927 6.44262 7.31767 8.50987 4.51512 6.03987 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 8.50987 6.44262 6.03987 9.07927 4.51512 7.31767 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 9.73896 5.84852 6.43774 6.96797 5.24762 7.2846 numMergedOcc 0
3 mol 45 unq 1 iso 0 dist 6.96797 5.84852 7.2846 9.73896 5.24762 6.43774 numMergedOcc 0
4 mol 52 unq 0 iso 0 dist 9.6112 9.99897 7.34143 13.5109 9.162 9.80098 numMergedOcc 0
5 mol 52 unq 1 iso 0 dist 6.08894 6.01116 7.34143 12.5042 9.162 9.80098 numMergedOcc 0
6 mol 52 unq 2 iso 0 dist 9.02308 4.98024 7.34143 14.4551 9.162 9.80098 numMergedOcc 0
7 mol 54 unq 0 iso 0 dist 7.89001 12.2366 9.5589 10.1199 5.08001 6.83299 numMergedOcc 0
8 mol 54 unq 1 iso 0 dist 7.89001 12.2366 9.5589 19.498 16.3192 8.10861 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 8.46313 9.46304 6.72123 10.2837 6.86346 6.65721 numMergedOcc 0
10 mol 72 unq 0 iso 0 dist 7.09258 10.0936 9.78528 13.592 8.24309 9.96708 numMergedOcc 0
11 mol 95 unq 0 iso 0 dist 8.06457 7.84998 9.01083 10.6428 5.53837 7.2658 numMergedOcc 0
12 mol 95 unq 1 iso 0 dist 6.5136 11.085 8.03644 19.738 16.6055 9.03572 numMergedOcc 0
13 mol 95 unq 2 iso 0 dist 6.5136 11.085 8.03644 18.2727 13.8105 8.83255 numMergedOcc 0
14 mol 100 unq 0 iso 0 dist 7.02792 11.4302 9.35224 10.3136 7.80879 9.60661 numMergedOcc 0
15 mol 100 unq 1 iso 0 dist 7.02792 11.4302 9.35224 14.4819 8.87654 7.17106 numMergedOcc 0
16 mol 100 unq 2 iso 0 dist 7.02792 6.20162 6.56369 9.16549 12.6515 7.47343 numMergedOcc 0
17 mol 100 unq 3 iso 0 dist 7.02792 6.20162 6.56369 10.3136 7.80879 6.65086 numMergedOcc 0
18 mol 100 unq 4 iso 0 dist 7.02792 6.20162 6.56369 12.1758 6.39938 9.30209 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 6.3982 5.29965 5.11551 11.6013 6.5838 7.11972 numMergedOcc 0
20 mol 117 unq 0 iso 0 dist 8.98848 14.6144 7.90328 21.8083 13.1058 9.84395 numMergedOcc 0
21 mol 129 unq 0 iso 0 dist 6.1421 7.86921 8.54584 9.55967 4.61027 8.53613 numMergedOcc 0
22 mol 129 unq 1 iso 0 dist 9.54663 6.95124 8.54584 11.8349 4.61027 8.53613 numMergedOcc 0
23 mol 131 unq 0 iso 0 dist 7.49404 7.91807 8.40312 10.6353 5.55373 7.12972 numMergedOcc 0
24 mol 131 unq 1 iso 0 dist 7.49404 7.91807 8.40312 11.6897 10.7062 6.85062 numMergedOcc 0
25 mol 131 unq 2 iso 0 dist 6.44766 7.69184 6.85062 14.5984 10.7062 8.40312 numMergedOcc 0
26 mol 131 unq 3 iso 0 dist 6.44766 7.69184 6.85062 12.0425 6.63273 7.12972 numMergedOcc 0
27 mol 133 unq 0 iso 0 dist 9.45717 4.28997 6.82262 11.7225 5.61668 8.22656 numMergedOcc 0
28 mol 133 unq 1 iso 0 dist 7.85025 13.8058 8.00618 13.0581 8.18495 7.11802 numMergedOcc 0
29 mol 134 unq 0 iso 0 dist 8.31743 10.2414 9.89303 8.5778 5.79898 6.54501 numMergedOcc 0
30 mol 134 unq 1 iso 0 dist 8.5778 10.2414 6.54501 8.31743 5.79898 9.89303 numMergedOcc 0
31 mol 134 unq 2 iso 0 dist 8.5778 13.5276 6.49416 14.8658 8.80819 8.94367 numMergedOcc 0
32 mol 134 unq 3 iso 0 dist 8.5778 13.5276 6.49416 13.131 5.00817 6.37586 numMergedOcc 0
33 mol 142 unq 0 iso 0 dist 6.91573 12.444 9.2313 12.0967 5.50998 7.73169 numMergedOcc 0
34 mol 142 unq 1 iso 0 dist 6.91573 12.444 9.2313 17.0821 11.1395 8.96657 numMergedOcc 0
35 mol 142 unq 2 iso 0 dist 6.91573 7.18287 5.31024 12.0967 5.50998 7.26382 numMergedOcc 0
36 mol 155 unq 0 iso 0 dist 9.56095 6.64179 6.23493 10.1181 5.71071 7.46303 numMergedOcc 0
37 mol 186 unq 0 iso 0 dist 5.47189 5.48717 7.54065 11.9058 13.8792 9.70748 numMergedOcc 0
38 mol 186 unq 1 iso 0 dist 5.47189 5.48717 7.54065 10.1325 5.74635 8.87694 numMergedOcc 0
39 mol 186 unq 2 iso 0 dist 8.58465 5.22923 8.87694 13.2127 9.50685 9.09754 numMergedOcc 0
40 mol 229 unq 0 iso 0 dist 9.68636 5.6419 7.03423 7.81415 6.84129 9.06952 numMergedOcc 0
41 mol 229 unq 1 iso 0 dist 7.81415 5.6419 9.06952 9.68636 6.84129 7.03423 numMergedOcc 0
42 mol 234 unq 0 iso 0 dist 8.58958 14.7629 6.56247 7.17987 5.88703 9.45496 numMergedOcc 0
43 mol 234 unq 1 iso 0 dist 8.58958 13.5847 9.36357 7.17987 5.88703 6.7625 numMergedOcc 0
44 mol 234 unq 2 iso 0 dist 9.70004 14.3229 6.56247 13.9487 5.88703 9.45496 numMergedOcc 0
45 mol 234 unq 3 iso 0 dist 9.70004 17.5883 9.36357 13.9487 5.88703 6.7625 numMergedOcc 0
46 mol 234 unq 4 iso 0 dist 7.17987 14.7629 9.45496 8.58958 5.88703 6.56247 numMergedOcc 0
47 mol 234 unq 5 iso 0 dist 7.17987 13.5847 6.7625 8.58958 5.88703 9.36357 numMergedOcc 0
48 mol 234 unq 6 iso 0 dist 9.5181 9.15708 9.36357 16.7157 12.1694 8.34494 numMergedOcc 0
49 mol 234 unq 7 iso 0 dist 9.5181 9.15708 9.36357 12.0771 7.82322 6.56247 numMergedOcc 0
50 mol 234 unq 8 iso 0 dist 9.5181 4.94699 6.7625 12.0771 7.82322 9.45496 numMergedOcc 0
51 mol 236 unq 0 iso 0 dist 6.67907 5.81354 8.04248 6.0087 7.43758 8.35971 numMergedOcc 0
52 mol 236 unq 1 iso 0 dist 6.0087 11.2678 8.03456 12.1533 7.28249 9.81562 numMergedOcc 0
53 mol 236 unq 2 iso 0 dist 6.0087 12.338 6.84306 12.1533 7.28249 7.68742 numMergedOcc 0
54 mol 236 unq 3 iso 0 dist 6.0087 12.431 9.99038 12.1533 7.28249 6.27581 numMergedOcc 0
55 mol 236 unq 4 iso 0 dist 6.0087 5.81354 8.35971 6.67907 7.43758 8.04248 numMergedOcc 0
56 mol 253 unq 0 iso 0 dist 5.27188 5.34337 7.32223 10.4338 7.25988 8.31064 numMergedOcc 0
57 mol 258 unq 0 iso 0 dist 9.80417 10.759 6.60405 15.1916 7.26417 6.42289 numMergedOcc 0
58 mol 259 unq 0 iso 0 dist 8.70852 5.07898 7.84554 11.1914 4.86771 7.88519 numMergedOcc 0
59 mol 259 unq 1 iso 0 dist 8.70852 5.07898 7.84554 9.89728 7.64658 7.46176 numMergedOcc 0
60 mol 259 unq 2 iso 0 dist 8.70852 5.07898 7.84554 6.42437 5.87173 9.18903 numMergedOcc 0
61 mol 259 unq 3 iso 0 dist 9.89728 5.07898 7.46176 11.1914 6.96053 7.88519 numMergedOcc 0
62 mol 259 unq 4 iso 0 dist 9.89728 5.07898 7.46176 8.70852 7.64658 7.84554 numMergedOcc 0
63 mol 259 unq 5 iso 0 dist 9.89728 5.07898 7.46176 6.42437 10.5239 9.18903 numMergedOcc 0
64 mol 259 unq 6 iso 0 dist 6.42437 5.07898 9.18903 11.1914 10.4881 7.88519 numMergedOcc 0
65 mol 259 unq 7 iso 0 dist 6.42437 5.07898 9.18903 8.70852 5.87173 7.84554 numMergedOcc 0
66 mol 259 unq 8 iso 0 dist 6.42437 5.07898 9.18903 9.89728 10.5239 7.46176 numMergedOcc 0
