0 mol 20 unq 0 iso 0 dist 8.72023 5.48225 8.25405 10.3469 9.46385 7.99756 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.72502 5.11636 8.24948 9.30028 13.3652 7.7447 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.44506 7.11305 6.38243 7.98005 12.4814 8.97754 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 7.27383 4.00553 6.87028 6.79356 6.21346 9.10675 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 8.64015 6.08003 7.17026 9.45821 4.74563 6.23509 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 7.9814 5.74372 9.45329 8.06267 9.21465 9.63906 numMergedOcc 0
6 mol 68 unq 1 iso 0 dist 7.9814 5.74372 9.45329 5.88334 6.22999 7.71872 numMergedOcc 0
7 mol 93 unq 0 iso 0 dist 9.81831 16.1023 7.8435 21.9971 12.5638 6.67678 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 9.81831 16.1023 7.8435 21.7795 12.4215 7.24956 numMergedOcc 0
9 mol 93 unq 2 iso 0 dist 9.81831 16.1023 7.8435 14.4051 5.99863 8.28591 numMergedOcc 0
10 mol 93 unq 3 iso 0 dist 9.81831 16.1023 7.8435 15.275 6.15015 9.40687 numMergedOcc 0
11 mol 93 unq 4 iso 0 dist 9.81831 13.1721 5.99269 14.4051 5.99863 5.35008 numMergedOcc 0
12 mol 93 unq 5 iso 0 dist 9.81831 13.1721 5.99269 15.275 6.15015 8.84576 numMergedOcc 0
13 mol 93 unq 6 iso 0 dist 9.81831 9.34182 5.71763 14.4051 5.99863 8.30921 numMergedOcc 0
14 mol 93 unq 7 iso 0 dist 9.81831 9.34182 5.71763 15.275 6.15015 7.39732 numMergedOcc 0
15 mol 93 unq 8 iso 0 dist 9.81831 9.34182 5.71763 18.8402 10.9803 9.67744 numMergedOcc 0
16 mol 93 unq 9 iso 0 dist 9.12858 12.4934 7.8435 18.9177 12.5638 6.67678 numMergedOcc 0
17 mol 93 unq 10 iso 0 dist 9.12858 12.4934 7.8435 18.5963 12.4215 7.24956 numMergedOcc 0
18 mol 93 unq 11 iso 0 dist 9.12858 12.4934 7.8435 14.2439 5.99863 8.28591 numMergedOcc 0
19 mol 93 unq 12 iso 0 dist 9.12858 12.4934 7.8435 15.2216 6.15015 9.40687 numMergedOcc 0
20 mol 93 unq 13 iso 0 dist 9.12858 11.0537 5.99269 14.2439 5.99863 5.35008 numMergedOcc 0
21 mol 93 unq 14 iso 0 dist 9.12858 11.0537 5.99269 15.2216 6.15015 8.84576 numMergedOcc 0
22 mol 93 unq 15 iso 0 dist 9.12858 12.0103 5.71763 14.2439 5.99863 8.30921 numMergedOcc 0
23 mol 93 unq 16 iso 0 dist 9.12858 12.0103 5.71763 15.2216 6.15015 7.39732 numMergedOcc 0
24 mol 93 unq 17 iso 0 dist 9.12858 12.0103 5.71763 19.9253 10.9803 9.67744 numMergedOcc 0
25 mol 93 unq 18 iso 0 dist 9.4523 10.8106 7.8435 17.12 12.5638 6.67678 numMergedOcc 0
26 mol 93 unq 19 iso 0 dist 9.4523 10.8106 7.8435 17.9688 12.4215 7.24956 numMergedOcc 0
27 mol 93 unq 20 iso 0 dist 9.4523 10.8106 7.8435 11.2863 5.99863 8.28591 numMergedOcc 0
28 mol 93 unq 21 iso 0 dist 9.4523 10.8106 7.8435 14.6786 6.15015 9.40687 numMergedOcc 0
29 mol 93 unq 22 iso 0 dist 9.4523 7.14217 5.99269 11.2863 5.99863 5.35008 numMergedOcc 0
30 mol 93 unq 23 iso 0 dist 9.4523 7.14217 5.99269 14.6786 6.15015 8.84576 numMergedOcc 0
31 mol 93 unq 24 iso 0 dist 9.4523 12.9351 5.71763 11.2863 5.99863 8.30921 numMergedOcc 0
32 mol 93 unq 25 iso 0 dist 9.4523 12.9351 5.71763 14.6786 6.15015 7.39732 numMergedOcc 0
33 mol 93 unq 26 iso 0 dist 9.4523 12.9351 5.71763 19.377 10.9803 9.67744 numMergedOcc 0
34 mol 112 unq 0 iso 0 dist 6.43433 6.95317 4.99604 6.87434 4.25001 5.92828 numMergedOcc 0
35 mol 112 unq 1 iso 0 dist 9.92283 10.9279 4.99604 11.5809 4.25001 5.92828 numMergedOcc 0
36 mol 119 unq 0 iso 0 dist 7.77116 6.9194 9.6121 10.1864 10.7475 4.55071 numMergedOcc 0
37 mol 131 unq 0 iso 0 dist 9.15431 4.57579 6.78801 11.6414 9.93041 8.49847 numMergedOcc 0
38 mol 131 unq 1 iso 0 dist 6.92648 8.57203 6.78801 15.2551 9.93041 8.49847 numMergedOcc 0
39 mol 131 unq 2 iso 0 dist 9.29384 12.6005 6.78801 18.8134 9.93041 8.49847 numMergedOcc 0
40 mol 134 unq 0 iso 0 dist 7.36779 14.2036 8.48313 18.4634 12.7348 4.94473 numMergedOcc 0
41 mol 134 unq 1 iso 0 dist 8.20836 16.4114 8.48313 20.8896 12.7348 4.94473 numMergedOcc 0
42 mol 152 unq 0 iso 0 dist 8.35555 4.94983 7.1069 6.79114 4.78989 8.60651 numMergedOcc 0
43 mol 171 unq 0 iso 0 dist 9.11712 4.00127 8.999 11.9039 11.6193 9.68512 numMergedOcc 0
44 mol 186 unq 0 iso 0 dist 9.56197 6.89047 8.57801 14.8324 9.28201 8.92135 numMergedOcc 0
45 mol 186 unq 1 iso 0 dist 7.24795 3.90244 8.57801 5.90765 9.28201 8.92135 numMergedOcc 0
46 mol 186 unq 2 iso 0 dist 8.64409 12.6058 8.57801 17.3863 9.28201 8.92135 numMergedOcc 0
47 mol 186 unq 3 iso 0 dist 7.60202 7.21555 8.57801 13.011 9.28201 8.92135 numMergedOcc 0
48 mol 186 unq 4 iso 0 dist 9.83476 13.6744 7.04815 11.8448 6.50208 6.94594 numMergedOcc 0
49 mol 186 unq 5 iso 0 dist 9.83476 13.6744 7.04815 10.0218 6.3786 5.81881 numMergedOcc 0
50 mol 186 unq 6 iso 0 dist 9.83476 15.0914 6.07389 15.2176 8.54557 9.4366 numMergedOcc 0
51 mol 194 unq 0 iso 0 dist 6.26839 10.0756 5.53324 9.52922 7.82899 4.45769 numMergedOcc 0
52 mol 194 unq 1 iso 0 dist 6.26839 10.0756 5.53324 11.7672 10.0237 5.89939 numMergedOcc 0
53 mol 194 unq 2 iso 0 dist 8.12346 10.2793 5.53324 11.2599 7.82899 4.45769 numMergedOcc 0
54 mol 194 unq 3 iso 0 dist 8.12346 10.2793 5.53324 11.0369 10.0237 5.89939 numMergedOcc 0
55 mol 194 unq 4 iso 0 dist 8.83356 10.463 5.53324 14.7152 7.82899 4.45769 numMergedOcc 0
56 mol 194 unq 5 iso 0 dist 8.83356 10.463 5.53324 15.9798 10.0237 5.89939 numMergedOcc 0
57 mol 194 unq 6 iso 0 dist 8.2654 12.8494 5.53324 14.7929 7.82899 4.45769 numMergedOcc 0
58 mol 194 unq 7 iso 0 dist 8.2654 12.8494 5.53324 15.7836 10.0237 5.89939 numMergedOcc 0
59 mol 207 unq 0 iso 0 dist 8.32218 14.0642 8.78061 13.7929 5.62485 7.30153 numMergedOcc 0
60 mol 207 unq 1 iso 0 dist 7.96797 4.56899 8.78061 9.29009 5.62485 7.30153 numMergedOcc 0
61 mol 222 unq 0 iso 0 dist 9.2581 9.01393 7.97027 16.7372 9.06039 9.79673 numMergedOcc 0
62 mol 222 unq 1 iso 0 dist 9.2581 9.01393 7.97027 10.3894 3.98816 6.39673 numMergedOcc 0
63 mol 222 unq 2 iso 0 dist 9.2581 5.64455 4.9876 10.3894 3.98816 7.80676 numMergedOcc 0
64 mol 222 unq 3 iso 0 dist 9.62632 13.3586 7.97027 16.4436 9.06039 9.79673 numMergedOcc 0
65 mol 222 unq 4 iso 0 dist 9.62632 13.3586 7.97027 13.2354 3.98816 6.39673 numMergedOcc 0
66 mol 222 unq 5 iso 0 dist 9.62632 5.9478 4.9876 13.2354 3.98816 7.80676 numMergedOcc 0
67 mol 222 unq 6 iso 0 dist 7.862 8.84507 7.97027 11.04 9.06039 9.79673 numMergedOcc 0
68 mol 222 unq 7 iso 0 dist 7.862 8.84507 7.97027 10.2446 3.98816 6.39673 numMergedOcc 0
69 mol 222 unq 8 iso 0 dist 7.862 6.02502 4.9876 10.2446 3.98816 7.80676 numMergedOcc 0
70 mol 225 unq 0 iso 0 dist 8.87609 17.3148 9.87668 22.7648 13.9338 8.74463 numMergedOcc 0
71 mol 251 unq 0 iso 0 dist 8.01198 4.86046 6.42747 11.6079 10.3735 7.72528 numMergedOcc 0
72 mol 252 unq 0 iso 0 dist 6.11473 5.6214 9.39658 11.065 10.4138 7.62991 numMergedOcc 0
73 mol 252 unq 1 iso 0 dist 6.11473 5.6214 9.39658 14.2216 19.1465 9.81261 numMergedOcc 0
74 mol 252 unq 2 iso 0 dist 6.53679 5.6214 5.9974 11.065 6.33781 7.62991 numMergedOcc 0
75 mol 252 unq 3 iso 0 dist 6.53679 5.6214 5.9974 14.2216 14.8966 9.81261 numMergedOcc 0
76 mol 252 unq 4 iso 0 dist 7.50201 7.40852 5.9974 12.8652 6.33781 7.62991 numMergedOcc 0
77 mol 252 unq 5 iso 0 dist 7.50201 7.40852 5.9974 12.9602 14.8966 9.81261 numMergedOcc 0
78 mol 264 unq 0 iso 0 dist 7.52281 5.71153 6.02757 14.7806 8.89888 9.87744 numMergedOcc 0
79 mol 264 unq 1 iso 0 dist 6.42588 6.56539 6.02757 10.4401 8.89888 9.87744 numMergedOcc 0
80 mol 264 unq 2 iso 0 dist 6.04162 11.4167 7.14086 14.1991 9.4435 8.55386 numMergedOcc 0
81 mol 264 unq 3 iso 0 dist 6.14323 13.2035 7.14086 13.9142 9.4435 8.55386 numMergedOcc 0
82 mol 266 unq 0 iso 0 dist 7.71657 4.74189 8.20485 8.97531 5.48178 9.83672 numMergedOcc 0
83 mol 278 unq 0 iso 0 dist 7.67245 10.0918 7.59696 5.35705 5.78276 7.56691 numMergedOcc 0
84 mol 278 unq 1 iso 0 dist 9.12395 6.48173 7.59696 6.64378 5.78276 7.56691 numMergedOcc 0
85 mol 279 unq 0 iso 0 dist 8.29305 6.5644 5.8304 10.6394 7.93548 4.98693 numMergedOcc 0
86 mol 279 unq 1 iso 0 dist 6.43341 9.40912 5.8304 13.2372 7.93548 4.98693 numMergedOcc 0
