0 mol 24 unq 0 iso 0 dist 6.72502 5.11636 8.24948 9.30028 13.3652 7.7447 11.2106 9.40479 9.57743 9.65174 numMergedOcc 0
1 mol 59 unq 0 iso 0 dist 8.64015 6.08003 7.17026 9.45821 4.74563 6.23509 11.9534 12.9134 9.30293 8.64444 numMergedOcc 0
2 mol 93 unq 0 iso 0 dist 9.81831 16.1023 7.8435 14.4051 5.99863 8.28591 11.6865 5.51624 4.97727 9.30843 numMergedOcc 0
3 mol 93 unq 1 iso 0 dist 9.81831 16.1023 7.8435 14.4051 5.99863 8.28591 12.2598 7.8674 13.8087 6.25522 numMergedOcc 0
4 mol 93 unq 2 iso 0 dist 9.81831 16.1023 7.8435 15.275 6.15015 9.40687 12.2598 7.8674 13.8087 7.87145 numMergedOcc 0
5 mol 93 unq 3 iso 0 dist 9.81831 13.1721 5.99269 14.4051 5.99863 5.35008 11.6865 5.51624 5.77343 9.30843 numMergedOcc 0
6 mol 93 unq 4 iso 0 dist 9.81831 13.1721 5.99269 14.4051 5.99863 5.35008 12.2598 7.8674 9.96831 6.25522 numMergedOcc 0
7 mol 93 unq 5 iso 0 dist 9.81831 13.1721 5.99269 15.275 6.15015 8.84576 12.2598 7.8674 9.96831 7.87145 numMergedOcc 0
8 mol 93 unq 6 iso 0 dist 9.81831 9.34182 5.71763 14.4051 5.99863 8.30921 11.6865 5.51624 11.0802 9.30843 numMergedOcc 0
9 mol 93 unq 7 iso 0 dist 9.81831 9.34182 5.71763 14.4051 5.99863 8.30921 12.2598 7.8674 5.33894 6.25522 numMergedOcc 0
10 mol 93 unq 8 iso 0 dist 9.81831 9.34182 5.71763 15.275 6.15015 7.39732 12.2598 7.8674 5.33894 7.87145 numMergedOcc 0
11 mol 93 unq 9 iso 0 dist 9.81831 9.34182 5.71763 18.8402 10.9803 9.67744 12.2598 7.8674 5.33894 9.30914 numMergedOcc 0
12 mol 93 unq 10 iso 0 dist 9.12858 12.4934 7.8435 14.2439 5.99863 8.28591 7.64463 5.51624 4.97727 9.30843 numMergedOcc 0
13 mol 93 unq 11 iso 0 dist 9.12858 12.4934 7.8435 14.2439 5.99863 8.28591 14.8533 7.8674 13.8087 6.25522 numMergedOcc 0
14 mol 93 unq 12 iso 0 dist 9.12858 12.4934 7.8435 15.2216 6.15015 9.40687 14.8533 7.8674 13.8087 7.87145 numMergedOcc 0
15 mol 93 unq 13 iso 0 dist 9.12858 11.0537 5.99269 14.2439 5.99863 5.35008 7.64463 5.51624 5.77343 9.30843 numMergedOcc 0
16 mol 93 unq 14 iso 0 dist 9.12858 11.0537 5.99269 14.2439 5.99863 5.35008 14.8533 7.8674 9.96831 6.25522 numMergedOcc 0
17 mol 93 unq 15 iso 0 dist 9.12858 11.0537 5.99269 15.2216 6.15015 8.84576 14.8533 7.8674 9.96831 7.87145 numMergedOcc 0
18 mol 93 unq 16 iso 0 dist 9.12858 12.0103 5.71763 14.2439 5.99863 8.30921 7.64463 5.51624 11.0802 9.30843 numMergedOcc 0
19 mol 93 unq 17 iso 0 dist 9.12858 12.0103 5.71763 14.2439 5.99863 8.30921 14.8533 7.8674 5.33894 6.25522 numMergedOcc 0
20 mol 93 unq 18 iso 0 dist 9.12858 12.0103 5.71763 15.2216 6.15015 7.39732 14.8533 7.8674 5.33894 7.87145 numMergedOcc 0
21 mol 93 unq 19 iso 0 dist 9.12858 12.0103 5.71763 19.9253 10.9803 9.67744 14.8533 7.8674 5.33894 9.30914 numMergedOcc 0
22 mol 93 unq 20 iso 0 dist 9.4523 10.8106 7.8435 11.2863 5.99863 8.28591 8.29171 5.51624 4.97727 9.30843 numMergedOcc 0
23 mol 93 unq 21 iso 0 dist 9.4523 10.8106 7.8435 11.2863 5.99863 8.28591 12.7936 7.8674 13.8087 6.25522 numMergedOcc 0
24 mol 93 unq 22 iso 0 dist 9.4523 10.8106 7.8435 14.6786 6.15015 9.40687 12.7936 7.8674 13.8087 7.87145 numMergedOcc 0
25 mol 93 unq 23 iso 0 dist 9.4523 7.14217 5.99269 11.2863 5.99863 5.35008 8.29171 5.51624 5.77343 9.30843 numMergedOcc 0
26 mol 93 unq 24 iso 0 dist 9.4523 7.14217 5.99269 11.2863 5.99863 5.35008 12.7936 7.8674 9.96831 6.25522 numMergedOcc 0
27 mol 93 unq 25 iso 0 dist 9.4523 7.14217 5.99269 14.6786 6.15015 8.84576 12.7936 7.8674 9.96831 7.87145 numMergedOcc 0
28 mol 93 unq 26 iso 0 dist 9.4523 12.9351 5.71763 11.2863 5.99863 8.30921 8.29171 5.51624 11.0802 9.30843 numMergedOcc 0
29 mol 93 unq 27 iso 0 dist 9.4523 12.9351 5.71763 11.2863 5.99863 8.30921 12.7936 7.8674 5.33894 6.25522 numMergedOcc 0
30 mol 93 unq 28 iso 0 dist 9.4523 12.9351 5.71763 14.6786 6.15015 7.39732 12.7936 7.8674 5.33894 7.87145 numMergedOcc 0
31 mol 93 unq 29 iso 0 dist 9.4523 12.9351 5.71763 19.377 10.9803 9.67744 12.7936 7.8674 5.33894 9.30914 numMergedOcc 0
32 mol 112 unq 0 iso 0 dist 6.43433 6.95317 4.99604 6.87434 4.25001 5.92828 10.0814 12.0448 8.90959 9.34689 numMergedOcc 0
33 mol 112 unq 1 iso 0 dist 9.92283 10.9279 4.99604 11.5809 4.25001 5.92828 14.5483 12.0448 8.90959 9.34689 numMergedOcc 0
34 mol 119 unq 0 iso 0 dist 7.77116 6.9194 9.6121 10.1864 10.7475 4.55071 12.7179 16.6372 9.75037 8.34342 numMergedOcc 0
35 mol 119 unq 1 iso 0 dist 7.77116 6.9194 9.6121 10.1864 10.7475 4.55071 4.91132 8.03035 6.71103 7.62197 numMergedOcc 0
36 mol 119 unq 2 iso 0 dist 7.77116 6.9194 9.6121 10.1864 10.7475 4.55071 19.0838 19.7237 12.6399 9.31621 numMergedOcc 0
37 mol 131 unq 0 iso 0 dist 9.15431 4.57579 6.78801 11.6414 9.93041 8.49847 7.21005 7.76594 4.24991 4.48699 numMergedOcc 0
38 mol 131 unq 1 iso 0 dist 6.92648 8.57203 6.78801 15.2551 9.93041 8.49847 11.5688 7.76594 4.24991 4.48699 numMergedOcc 0
39 mol 131 unq 2 iso 0 dist 9.29384 12.6005 6.78801 18.8134 9.93041 8.49847 15.7796 7.76594 4.24991 4.48699 numMergedOcc 0
40 mol 152 unq 0 iso 0 dist 8.35555 4.94983 7.1069 6.79114 4.78989 8.60651 7.78913 8.60521 10.6183 5.42715 numMergedOcc 0
41 mol 152 unq 1 iso 0 dist 8.35555 4.94983 7.1069 6.79114 4.78989 8.60651 5.70788 6.39031 4.71678 7.34557 numMergedOcc 0
42 mol 186 unq 0 iso 0 dist 9.83476 13.6744 7.04815 10.0218 6.3786 5.81881 6.87725 8.12349 9.57029 9.12783 numMergedOcc 0
43 mol 194 unq 0 iso 0 dist 6.26839 10.0756 5.53324 9.52922 7.82899 4.45769 6.66155 5.52678 5.28603 5.13892 numMergedOcc 0
44 mol 194 unq 1 iso 0 dist 6.26839 10.0756 5.53324 9.52922 7.82899 4.45769 5.4499 9.81666 11.0713 8.2232 numMergedOcc 0
45 mol 194 unq 2 iso 0 dist 6.26839 10.0756 5.53324 11.7672 10.0237 5.89939 6.66155 5.52678 5.28603 5.78717 numMergedOcc 0
46 mol 194 unq 3 iso 0 dist 8.12346 10.2793 5.53324 11.2599 7.82899 4.45769 6.12973 5.52678 5.28603 5.13892 numMergedOcc 0
47 mol 194 unq 4 iso 0 dist 8.12346 10.2793 5.53324 11.2599 7.82899 4.45769 11.0239 9.81666 11.0713 8.2232 numMergedOcc 0
48 mol 194 unq 5 iso 0 dist 8.12346 10.2793 5.53324 11.0369 10.0237 5.89939 6.12973 5.52678 5.28603 5.78717 numMergedOcc 0
49 mol 194 unq 6 iso 0 dist 8.83356 10.463 5.53324 14.7152 7.82899 4.45769 13.0333 5.52678 5.28603 5.13892 numMergedOcc 0
50 mol 194 unq 7 iso 0 dist 8.83356 10.463 5.53324 14.7152 7.82899 4.45769 18.6469 9.81666 11.0713 8.2232 numMergedOcc 0
51 mol 194 unq 8 iso 0 dist 8.83356 10.463 5.53324 15.9798 10.0237 5.89939 13.0333 5.52678 5.28603 5.78717 numMergedOcc 0
52 mol 194 unq 9 iso 0 dist 8.2654 12.8494 5.53324 14.7929 7.82899 4.45769 10.1796 5.52678 5.28603 5.13892 numMergedOcc 0
53 mol 194 unq 10 iso 0 dist 8.2654 12.8494 5.53324 14.7929 7.82899 4.45769 13.5457 9.81666 11.0713 8.2232 numMergedOcc 0
54 mol 194 unq 11 iso 0 dist 8.2654 12.8494 5.53324 15.7836 10.0237 5.89939 10.1796 5.52678 5.28603 5.78717 numMergedOcc 0
55 mol 252 unq 0 iso 0 dist 6.11473 5.6214 9.39658 14.2216 19.1465 9.81261 6.28227 11.8525 4.34126 8.38453 numMergedOcc 0
56 mol 252 unq 1 iso 0 dist 6.53679 5.6214 5.9974 14.2216 14.8966 9.81261 6.28227 8.55481 4.34126 8.38453 numMergedOcc 0
57 mol 252 unq 2 iso 0 dist 7.50201 7.40852 5.9974 12.9602 14.8966 9.81261 5.25252 8.55481 4.34126 8.38453 numMergedOcc 0
58 mol 279 unq 0 iso 0 dist 8.29305 6.5644 5.8304 10.6394 7.93548 4.98693 12.0802 13.8337 8.11749 8.17846 numMergedOcc 0
59 mol 279 unq 1 iso 0 dist 6.43341 9.40912 5.8304 13.2372 7.93548 4.98693 17.0288 13.8337 8.11749 8.17846 numMergedOcc 0
