0 mol 19 unq 0 iso 0 dist 9.80108 7.07775 8.58657 10.3996 7.40236 12.323 numMergedOcc 0
1 mol 19 unq 0 iso 1 dist 8.58657 7.07775 9.80108 12.323 7.40236 10.3996 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 6.00439 7.83352 6.20943 4.23427 6.38574 4.44441 numMergedOcc 0
3 mol 19 unq 1 iso 1 dist 6.20943 7.83352 6.00439 4.44441 6.38574 4.23427 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 6.00439 10.8007 7.82528 4.23427 6.38574 10.0411 numMergedOcc 0
5 mol 19 unq 2 iso 1 dist 7.82528 10.8007 6.00439 10.0411 6.38574 4.23427 numMergedOcc 0
6 mol 19 unq 2 iso 0 dist 6.20943 7.67038 7.82528 4.44441 6.38574 10.0411 numMergedOcc 0
7 mol 19 unq 2 iso 1 dist 7.82528 7.67038 6.20943 10.0411 6.38574 4.44441 numMergedOcc 0
8 mol 20 unq 0 iso 0 dist 6.4934 8.77584 6.93199 9.49629 8.19827 5.47538 numMergedOcc 0
9 mol 20 unq 0 iso 1 dist 6.93199 8.77584 6.4934 5.47538 8.19827 9.49629 numMergedOcc 0
10 mol 26 unq 0 iso 0 dist 8.82012 13.2136 9.16962 12.8511 7.84204 15.962 numMergedOcc 0
11 mol 26 unq 0 iso 1 dist 9.16962 13.2136 8.82012 15.962 7.84204 12.8511 numMergedOcc 0
12 mol 45 unq 0 iso 0 dist 7.06308 5.24762 6.34173 9.89212 9.44125 5.84319 numMergedOcc 0
13 mol 45 unq 0 iso 1 dist 6.34173 5.24762 7.06308 5.84319 9.44125 9.89212 numMergedOcc 0
14 mol 45 unq 1 iso 0 dist 7.06308 5.48601 9.43442 9.89212 9.44125 6.16709 numMergedOcc 0
15 mol 45 unq 1 iso 1 dist 9.43442 5.48601 7.06308 6.16709 9.44125 9.89212 numMergedOcc 0
16 mol 45 unq 1 iso 0 dist 6.34173 5.101 9.43442 5.84319 9.44125 6.16709 numMergedOcc 0
17 mol 45 unq 1 iso 1 dist 9.43442 5.101 6.34173 6.16709 9.44125 5.84319 numMergedOcc 0
18 mol 58 unq 0 iso 0 dist 9.33535 7.08557 8.26899 4.63196 8.88313 8.44881 numMergedOcc 0
19 mol 58 unq 0 iso 1 dist 8.26899 7.08557 9.33535 8.44881 8.88313 4.63196 numMergedOcc 0
20 mol 58 unq 1 iso 0 dist 9.33535 7.08557 8.26899 4.57635 5.48837 4.25144 numMergedOcc 0
21 mol 58 unq 1 iso 1 dist 8.26899 7.08557 9.33535 4.25144 5.48837 4.57635 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 8.70133 7.4697 5.64598 4.73407 7.78587 3.85805 numMergedOcc 0
23 mol 73 unq 0 iso 1 dist 5.64598 7.4697 8.70133 3.85805 7.78587 4.73407 numMergedOcc 0
24 mol 73 unq 1 iso 0 dist 8.70133 5.4148 4.65521 4.73407 7.78587 5.17781 numMergedOcc 0
25 mol 73 unq 1 iso 1 dist 4.65521 5.4148 8.70133 5.17781 7.78587 4.73407 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 5.64598 5.7113 4.65521 3.85805 7.78587 5.17781 numMergedOcc 0
27 mol 73 unq 1 iso 1 dist 4.65521 5.7113 5.64598 5.17781 7.78587 3.85805 numMergedOcc 0
28 mol 75 unq 0 iso 0 dist 6.33365 9.02771 5.15851 7.30118 7.30467 4.74027 numMergedOcc 0
29 mol 75 unq 0 iso 1 dist 5.15851 9.02771 6.33365 4.74027 7.30467 7.30118 numMergedOcc 0
30 mol 90 unq 0 iso 0 dist 8.39016 7.60026 6.99355 4.79453 6.18681 6.34112 numMergedOcc 0
31 mol 90 unq 0 iso 1 dist 6.99355 7.60026 8.39016 6.34112 6.18681 4.79453 numMergedOcc 0
32 mol 90 unq 1 iso 0 dist 8.39016 7.60026 6.99355 7.5298 9.33288 4.87139 numMergedOcc 0
33 mol 90 unq 1 iso 1 dist 6.99355 7.60026 8.39016 4.87139 9.33288 7.5298 numMergedOcc 0
34 mol 92 unq 0 iso 0 dist 5.81965 5.02055 7.06013 12.3859 7.03417 13.4866 numMergedOcc 0
35 mol 92 unq 0 iso 1 dist 7.06013 5.02055 5.81965 13.4866 7.03417 12.3859 numMergedOcc 0
36 mol 92 unq 1 iso 0 dist 5.81965 8.95922 9.70512 12.3859 7.03417 11.3622 numMergedOcc 0
37 mol 92 unq 1 iso 1 dist 9.70512 8.95922 5.81965 11.3622 7.03417 12.3859 numMergedOcc 0
38 mol 92 unq 1 iso 0 dist 7.06013 12.4494 9.70512 13.4866 7.03417 11.3622 numMergedOcc 0
39 mol 92 unq 1 iso 1 dist 9.70512 12.4494 7.06013 11.3622 7.03417 13.4866 numMergedOcc 0
40 mol 114 unq 0 iso 0 dist 8.68821 8.66412 7.12609 10.5728 9.26486 5.74761 numMergedOcc 0
41 mol 114 unq 0 iso 1 dist 7.12609 8.66412 8.68821 5.74761 9.26486 10.5728 numMergedOcc 0
42 mol 127 unq 0 iso 0 dist 6.192 5.30124 7.69308 7.10019 9.70065 3.51923 numMergedOcc 0
43 mol 127 unq 0 iso 1 dist 7.69308 5.30124 6.192 3.51923 9.70065 7.10019 numMergedOcc 0
44 mol 127 unq 1 iso 0 dist 6.192 11.279 8.59981 7.10019 9.70065 14.8455 numMergedOcc 0
45 mol 127 unq 1 iso 1 dist 8.59981 11.279 6.192 14.8455 9.70065 7.10019 numMergedOcc 0
46 mol 127 unq 2 iso 0 dist 6.192 8.77327 7.66331 7.10019 9.70065 14.6454 numMergedOcc 0
47 mol 127 unq 2 iso 1 dist 7.66331 8.77327 6.192 14.6454 9.70065 7.10019 numMergedOcc 0
48 mol 127 unq 1 iso 0 dist 7.69308 11.4958 8.59981 3.51923 9.70065 14.8455 numMergedOcc 0
49 mol 127 unq 1 iso 1 dist 8.59981 11.4958 7.69308 14.8455 9.70065 3.51923 numMergedOcc 0
50 mol 127 unq 2 iso 0 dist 7.69308 11.521 7.66331 3.51923 9.70065 14.6454 numMergedOcc 0
51 mol 127 unq 2 iso 1 dist 7.66331 11.521 7.69308 14.6454 9.70065 3.51923 numMergedOcc 0
52 mol 127 unq 2 iso 0 dist 8.59981 5.55757 7.66331 14.8455 9.70065 14.6454 numMergedOcc 0
53 mol 127 unq 2 iso 1 dist 7.66331 5.55757 8.59981 14.6454 9.70065 14.8455 numMergedOcc 0
54 mol 141 unq 0 iso 0 dist 6.93652 5.67306 9.54444 6.75624 9.75587 3.80599 numMergedOcc 0
55 mol 141 unq 0 iso 1 dist 9.54444 5.67306 6.93652 3.80599 9.75587 6.75624 numMergedOcc 0
56 mol 142 unq 0 iso 0 dist 7.15475 5.32922 9.07935 4.05822 5.69323 4.7832 numMergedOcc 0
57 mol 142 unq 0 iso 1 dist 9.07935 5.32922 7.15475 4.7832 5.69323 4.05822 numMergedOcc 0
58 mol 184 unq 0 iso 0 dist 9.52936 5.43299 9.15417 7.44296 9.46392 5.48752 numMergedOcc 0
59 mol 184 unq 0 iso 1 dist 9.15417 5.43299 9.52936 5.48752 9.46392 7.44296 numMergedOcc 0
60 mol 194 unq 0 iso 0 dist 6.47873 8.48054 8.38695 11.7478 9.76225 3.77029 numMergedOcc 0
61 mol 194 unq 0 iso 1 dist 8.38695 8.48054 6.47873 3.77029 9.76225 11.7478 numMergedOcc 0
62 mol 213 unq 0 iso 0 dist 8.45368 13.7995 9.59129 9.90805 7.77553 4.67313 numMergedOcc 0
63 mol 213 unq 0 iso 1 dist 9.59129 13.7995 8.45368 4.67313 7.77553 9.90805 numMergedOcc 0
64 mol 214 unq 0 iso 0 dist 7.46831 10.3105 8.60247 8.3225 9.86587 16.4035 numMergedOcc 0
65 mol 214 unq 0 iso 1 dist 8.60247 10.3105 7.46831 16.4035 9.86587 8.3225 numMergedOcc 0
66 mol 218 unq 0 iso 0 dist 7.17547 7.83217 7.13323 14.5747 8.5244 11.7256 numMergedOcc 0
67 mol 218 unq 0 iso 1 dist 7.13323 7.83217 7.17547 11.7256 8.5244 14.5747 numMergedOcc 0
68 mol 232 unq 0 iso 0 dist 7.07392 4.96364 9.62952 4.14873 8.49913 6.71567 numMergedOcc 0
69 mol 232 unq 0 iso 1 dist 9.62952 4.96364 7.07392 6.71567 8.49913 4.14873 numMergedOcc 0
70 mol 234 unq 0 iso 0 dist 6.25105 5.88703 7.85175 13.8525 7.91374 12.7879 numMergedOcc 0
71 mol 234 unq 0 iso 1 dist 7.85175 5.88703 6.25105 12.7879 7.91374 13.8525 numMergedOcc 0
72 mol 238 unq 0 iso 0 dist 9.90142 5.40359 5.9216 8.71924 8.54425 4.56594 numMergedOcc 0
73 mol 238 unq 0 iso 1 dist 5.9216 5.40359 9.90142 4.56594 8.54425 8.71924 numMergedOcc 0
74 mol 238 unq 1 iso 0 dist 8.14172 5.31152 6.77463 10.1977 8.71877 5.7648 numMergedOcc 0
75 mol 238 unq 1 iso 1 dist 6.77463 5.31152 8.14172 5.7648 8.71877 10.1977 numMergedOcc 0
76 mol 256 unq 0 iso 0 dist 5.24676 9.92128 8.09363 6.73995 5.85613 4.6374 numMergedOcc 0
77 mol 256 unq 0 iso 1 dist 8.09363 9.92128 5.24676 4.6374 5.85613 6.73995 numMergedOcc 0
78 mol 259 unq 0 iso 0 dist 7.48005 12.5353 8.37865 6.65799 9.28024 9.53031 numMergedOcc 0
79 mol 259 unq 0 iso 1 dist 8.37865 12.5353 7.48005 9.53031 9.28024 6.65799 numMergedOcc 0
