0 mol 34 unq 0 iso 0 dist 7.32472 8.69348 6.35997 4.61111 4.75881 6.66835 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 7.12713 8.08636 5.81662 4.64633 3.77542 3.8412 numMergedOcc 0
2 mol 46 unq 1 iso 0 dist 7.12713 8.08636 5.81662 13.8401 9.97314 6.17831 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 9.80453 12.4087 9.07283 8.42234 9.05737 5.7037 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 6.0827 8.53924 7.49792 5.4275 4.46067 3.70802 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 6.0827 4.38006 6.58981 5.4275 4.46067 3.66673 numMergedOcc 0
6 mol 62 unq 2 iso 0 dist 5.23167 6.37499 6.51901 3.89181 4.46067 4.29679 numMergedOcc 0
7 mol 62 unq 3 iso 0 dist 5.23167 11.7209 9.1926 3.89181 4.46067 8.07308 numMergedOcc 0
8 mol 62 unq 4 iso 0 dist 7.47607 9.79569 6.51901 5.72955 4.46067 4.29679 numMergedOcc 0
9 mol 62 unq 5 iso 0 dist 7.47607 13.1832 9.1926 5.72955 4.46067 8.07308 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 5.61831 4.63832 8.63792 5.5308 7.66068 8.58059 numMergedOcc 0
11 mol 76 unq 1 iso 0 dist 5.61831 4.63832 8.63792 10.5881 9.5043 14.7497 numMergedOcc 0
12 mol 76 unq 2 iso 0 dist 5.61831 4.63832 8.63792 9.74852 8.34132 14.3572 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 7.61514 5.40682 6.56288 10.8634 6.67137 7.14242 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 7.61514 5.40682 6.56288 15.0522 9.78707 15.2173 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 8.21116 5.40682 5.97559 13.6965 7.07839 9.52671 numMergedOcc 0
16 mol 85 unq 3 iso 0 dist 8.21116 5.40682 5.97559 12.6759 7.91193 8.62855 numMergedOcc 0
17 mol 85 unq 4 iso 0 dist 8.21116 5.40682 5.97559 10.513 9.09711 5.86553 numMergedOcc 0
18 mol 85 unq 5 iso 0 dist 8.21116 5.40682 5.97559 10.8634 7.04244 7.14242 numMergedOcc 0
19 mol 85 unq 6 iso 0 dist 8.21116 5.40682 5.97559 15.0522 9.63449 15.2173 numMergedOcc 0
20 mol 93 unq 0 iso 0 dist 6.06155 4.54745 8.2702 7.0652 8.71366 3.27874 numMergedOcc 0
21 mol 113 unq 0 iso 0 dist 6.38269 13.5639 9.44 10.3017 5.31126 12.8761 numMergedOcc 0
22 mol 113 unq 1 iso 0 dist 6.38269 13.5639 9.44 10.3632 4.49669 7.68828 numMergedOcc 0
23 mol 113 unq 2 iso 0 dist 6.38269 13.5639 9.44 9.86085 6.00221 8.44413 numMergedOcc 0
24 mol 113 unq 3 iso 0 dist 7.11196 13.5639 8.47634 10.3017 7.16619 12.8761 numMergedOcc 0
25 mol 113 unq 4 iso 0 dist 7.11196 13.5639 8.47634 10.3632 5.88896 7.68828 numMergedOcc 0
26 mol 120 unq 0 iso 0 dist 8.31527 10.7979 5.56598 5.79975 7.84207 8.24077 numMergedOcc 0
27 mol 120 unq 1 iso 0 dist 8.31527 10.7979 5.56598 12.8646 8.56947 3.79384 numMergedOcc 0
28 mol 120 unq 2 iso 0 dist 8.31527 6.76794 5.39792 5.79975 7.84207 5.56137 numMergedOcc 0
29 mol 120 unq 3 iso 0 dist 8.31527 6.76794 5.39792 12.8646 8.56947 6.80121 numMergedOcc 0
30 mol 120 unq 4 iso 0 dist 8.31527 5.49859 7.00542 5.79975 7.84207 7.75617 numMergedOcc 0
31 mol 120 unq 5 iso 0 dist 8.31527 5.49859 7.00542 12.8646 8.56947 10.6431 numMergedOcc 0
32 mol 120 unq 6 iso 0 dist 7.64841 6.76794 8.44206 5.37018 9.31385 10.0743 numMergedOcc 0
33 mol 120 unq 7 iso 0 dist 7.64841 6.76794 8.44206 5.79975 6.98791 5.56137 numMergedOcc 0
34 mol 120 unq 8 iso 0 dist 7.64841 5.49859 9.78884 5.37018 9.31385 10.2233 numMergedOcc 0
35 mol 120 unq 9 iso 0 dist 7.64841 5.49859 9.78884 5.79975 6.98791 7.75617 numMergedOcc 0
36 mol 123 unq 0 iso 0 dist 7.49032 4.20645 9.72421 5.04742 8.78115 3.50983 numMergedOcc 0
37 mol 123 unq 1 iso 0 dist 7.49032 4.20645 9.72421 11.4019 8.03692 11.8396 numMergedOcc 0
38 mol 123 unq 2 iso 0 dist 7.49032 9.0296 8.35926 5.04742 8.78115 5.85997 numMergedOcc 0
39 mol 123 unq 3 iso 0 dist 7.49032 9.0296 8.35926 11.4019 8.03692 3.61945 numMergedOcc 0
40 mol 123 unq 4 iso 0 dist 7.04627 6.60637 9.72421 5.02162 8.78115 3.50983 numMergedOcc 0
41 mol 123 unq 5 iso 0 dist 7.04627 6.60637 9.72421 8.90549 8.03692 11.8396 numMergedOcc 0
42 mol 123 unq 6 iso 0 dist 7.04627 6.33531 8.35926 5.02162 8.78115 5.85997 numMergedOcc 0
43 mol 123 unq 7 iso 0 dist 7.04627 6.33531 8.35926 8.90549 8.03692 3.61945 numMergedOcc 0
44 mol 194 unq 0 iso 0 dist 9.3032 10.4172 4.55528 12.2934 5.10542 4.02402 numMergedOcc 0
45 mol 194 unq 1 iso 0 dist 9.3032 13.6082 6.88386 12.2934 5.10542 8.31549 numMergedOcc 0
46 mol 194 unq 2 iso 0 dist 8.10451 10.3249 4.55528 11.2635 5.10542 4.02402 numMergedOcc 0
47 mol 194 unq 3 iso 0 dist 8.10451 6.55814 6.88386 11.2635 5.10542 8.31549 numMergedOcc 0
48 mol 194 unq 4 iso 0 dist 6.6747 10.3249 4.42095 11.2635 4.68722 4.02402 numMergedOcc 0
49 mol 194 unq 5 iso 0 dist 6.6747 10.3249 4.42095 10.5989 5.18325 3.83542 numMergedOcc 0
50 mol 194 unq 6 iso 0 dist 6.6747 6.55814 4.63898 11.2635 4.68722 8.31549 numMergedOcc 0
51 mol 194 unq 7 iso 0 dist 6.6747 6.55814 4.63898 10.5989 5.18325 4.98625 numMergedOcc 0
52 mol 194 unq 8 iso 0 dist 6.6747 14.9692 9.53641 11.2635 4.68722 7.40457 numMergedOcc 0
53 mol 194 unq 9 iso 0 dist 6.6747 14.9692 9.53641 10.5989 5.18325 8.48051 numMergedOcc 0
54 mol 194 unq 10 iso 0 dist 6.28412 6.65382 4.42095 5.18799 4.68722 4.02402 numMergedOcc 0
55 mol 194 unq 11 iso 0 dist 6.28412 6.65382 4.42095 4.45047 5.18325 3.83542 numMergedOcc 0
56 mol 194 unq 12 iso 0 dist 6.28412 8.25387 4.63898 5.18799 4.68722 8.31549 numMergedOcc 0
57 mol 194 unq 13 iso 0 dist 6.28412 8.25387 4.63898 4.45047 5.18325 4.98625 numMergedOcc 0
58 mol 194 unq 14 iso 0 dist 6.28412 4.09071 9.53641 5.18799 4.68722 7.40457 numMergedOcc 0
59 mol 194 unq 15 iso 0 dist 6.28412 4.09071 9.53641 4.45047 5.18325 8.48051 numMergedOcc 0
60 mol 213 unq 0 iso 0 dist 9.50137 4.28738 8.46486 4.64388 9.56126 4.00981 numMergedOcc 0
61 mol 225 unq 0 iso 0 dist 7.22151 4.40718 5.65735 3.64687 9.54529 6.46348 numMergedOcc 0
62 mol 243 unq 0 iso 0 dist 8.35328 5.23854 7.39884 6.56644 4.55853 5.38511 numMergedOcc 0
63 mol 266 unq 0 iso 0 dist 9.20906 6.79927 7.43884 10.0526 7.80711 11.4637 numMergedOcc 0
64 mol 266 unq 1 iso 0 dist 9.20906 6.79927 7.43884 16.8584 9.9965 12.3524 numMergedOcc 0
65 mol 266 unq 2 iso 0 dist 9.03099 12.1152 7.43884 7.98379 7.80711 11.4637 numMergedOcc 0
66 mol 266 unq 3 iso 0 dist 9.03099 12.1152 7.43884 4.58167 9.9965 12.3524 numMergedOcc 0
67 mol 281 unq 0 iso 0 dist 8.78416 4.88562 9.05453 16.2332 7.90368 16.2801 numMergedOcc 0
68 mol 281 unq 1 iso 0 dist 8.78416 4.88562 9.05453 10.564 6.69267 9.81081 numMergedOcc 0
69 mol 281 unq 2 iso 0 dist 7.82358 5.91239 9.05453 12.9503 7.90368 16.2801 numMergedOcc 0
70 mol 281 unq 3 iso 0 dist 7.82358 5.91239 9.05453 9.45924 6.69267 9.81081 numMergedOcc 0
71 mol 284 unq 0 iso 0 dist 5.06373 4.29335 5.2862 4.16786 5.6964 5.88619 numMergedOcc 0
72 mol 284 unq 1 iso 0 dist 5.06373 6.24981 5.31097 4.16786 5.6964 4.57529 numMergedOcc 0
