0 mol 1 unq 0 iso 0 dist 5.65716 4.36042 8.26708 5.21705 7.27254 6.27888 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 5.65716 6.44928 6.09918 5.21705 7.27254 4.50502 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.93613 11.7623 9.78006 12.0088 7.05919 5.84314 numMergedOcc 0
3 mol 20 unq 0 iso 0 dist 9.47968 12.6153 8.72023 12.5088 8.25405 5.48225 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 6.73259 4.09495 5.69955 5.23054 6.73167 8.25132 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 6.73259 4.09495 5.69955 6.65309 7.40948 4.94205 numMergedOcc 0
6 mol 26 unq 2 iso 0 dist 6.73259 8.18809 8.6385 5.23054 6.73167 7.73394 numMergedOcc 0
7 mol 26 unq 3 iso 0 dist 6.73259 8.18809 8.6385 6.65309 7.40948 7.42064 numMergedOcc 0
8 mol 26 unq 4 iso 0 dist 8.60352 8.26353 5.69955 12.0047 6.73167 8.25132 numMergedOcc 0
9 mol 26 unq 5 iso 0 dist 8.60352 8.26353 5.69955 3.7444 7.40948 4.94205 numMergedOcc 0
10 mol 26 unq 6 iso 0 dist 8.60352 7.06347 8.6385 12.0047 6.73167 7.73394 numMergedOcc 0
11 mol 26 unq 7 iso 0 dist 8.60352 7.06347 8.6385 3.7444 7.40948 7.42064 numMergedOcc 0
12 mol 26 unq 8 iso 0 dist 9.46609 13.1626 8.44506 6.0606 6.38243 7.11305 numMergedOcc 0
13 mol 53 unq 0 iso 0 dist 9.23241 13.8028 7.09169 6.82319 6.2676 9.22034 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 6.53468 14.2026 8.03303 10.0936 7.69861 8.96557 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 5.90954 9.27925 8.03303 3.45332 7.69861 8.96557 numMergedOcc 0
16 mol 93 unq 0 iso 0 dist 8.42713 17.674 9.81831 3.91263 7.8435 16.1023 numMergedOcc 0
17 mol 93 unq 1 iso 0 dist 8.42713 17.674 9.81831 5.59024 5.99269 13.1721 numMergedOcc 0
18 mol 93 unq 2 iso 0 dist 8.42713 17.674 9.81831 12.9872 5.71763 9.34182 numMergedOcc 0
19 mol 93 unq 3 iso 0 dist 8.42713 15.232 9.12858 3.91263 7.8435 12.4934 numMergedOcc 0
20 mol 93 unq 4 iso 0 dist 8.42713 15.232 9.12858 5.59024 5.99269 11.0537 numMergedOcc 0
21 mol 93 unq 5 iso 0 dist 8.42713 15.232 9.12858 12.9872 5.71763 12.0103 numMergedOcc 0
22 mol 93 unq 6 iso 0 dist 8.42713 12.5871 9.4523 3.91263 7.8435 10.8106 numMergedOcc 0
23 mol 93 unq 7 iso 0 dist 8.42713 12.5871 9.4523 5.59024 5.99269 7.14217 numMergedOcc 0
24 mol 93 unq 8 iso 0 dist 8.42713 12.5871 9.4523 12.9872 5.71763 12.9351 numMergedOcc 0
25 mol 93 unq 9 iso 0 dist 8.21032 6.25741 9.81831 15.8131 7.8435 16.1023 numMergedOcc 0
26 mol 93 unq 10 iso 0 dist 8.21032 6.25741 9.81831 13.6266 5.99269 13.1721 numMergedOcc 0
27 mol 93 unq 11 iso 0 dist 8.21032 6.25741 9.81831 5.17052 5.71763 9.34182 numMergedOcc 0
28 mol 93 unq 12 iso 0 dist 8.21032 10.0172 9.12858 15.8131 7.8435 12.4934 numMergedOcc 0
29 mol 93 unq 13 iso 0 dist 8.21032 10.0172 9.12858 13.6266 5.99269 11.0537 numMergedOcc 0
30 mol 93 unq 14 iso 0 dist 8.21032 10.0172 9.12858 5.17052 5.71763 12.0103 numMergedOcc 0
31 mol 93 unq 15 iso 0 dist 8.21032 13.6269 9.4523 15.8131 7.8435 10.8106 numMergedOcc 0
32 mol 93 unq 16 iso 0 dist 8.21032 13.6269 9.4523 13.6266 5.99269 7.14217 numMergedOcc 0
33 mol 93 unq 17 iso 0 dist 8.21032 13.6269 9.4523 5.17052 5.71763 12.9351 numMergedOcc 0
34 mol 130 unq 0 iso 0 dist 7.62584 11.4663 8.33077 11.9741 6.5739 7.21225 numMergedOcc 0
35 mol 130 unq 1 iso 0 dist 7.39532 3.96103 8.33077 9.25976 6.5739 7.21225 numMergedOcc 0
36 mol 130 unq 2 iso 0 dist 6.62468 13.474 9.28592 8.17131 8.24966 8.14075 numMergedOcc 0
37 mol 133 unq 0 iso 0 dist 6.0733 4.58263 8.56003 3.75291 9.05336 6.11469 numMergedOcc 0
38 mol 147 unq 0 iso 0 dist 6.4752 8.95179 5.49226 11.5768 9.43989 12.068 numMergedOcc 0
39 mol 147 unq 1 iso 0 dist 6.4752 10.5583 6.28351 11.5768 9.43989 5.59468 numMergedOcc 0
40 mol 158 unq 0 iso 0 dist 6.92225 9.86605 7.88319 9.02669 6.11331 13.7172 numMergedOcc 0
41 mol 159 unq 0 iso 0 dist 9.90625 10.6428 7.25742 6.30259 6.07821 4.48323 numMergedOcc 0
42 mol 171 unq 0 iso 0 dist 6.69054 5.58953 9.11712 8.2542 8.999 4.00127 numMergedOcc 0
43 mol 194 unq 0 iso 0 dist 7.47107 10.2633 6.26839 12.1522 5.53324 10.0756 numMergedOcc 0
44 mol 194 unq 1 iso 0 dist 7.47107 10.2633 6.26839 5.18485 6.72182 11.8031 numMergedOcc 0
45 mol 194 unq 2 iso 0 dist 7.47107 9.36943 8.12346 12.1522 5.53324 10.2793 numMergedOcc 0
46 mol 194 unq 3 iso 0 dist 7.47107 9.36943 8.12346 5.18485 6.72182 9.09233 numMergedOcc 0
47 mol 194 unq 4 iso 0 dist 7.47107 7.72655 8.83356 12.1522 5.53324 10.463 numMergedOcc 0
48 mol 194 unq 5 iso 0 dist 7.47107 7.72655 8.83356 5.18485 6.72182 4.66791 numMergedOcc 0
49 mol 194 unq 6 iso 0 dist 7.47107 4.57265 8.2654 12.1522 5.53324 12.8494 numMergedOcc 0
50 mol 194 unq 7 iso 0 dist 7.47107 4.57265 8.2654 5.18485 6.72182 7.73551 numMergedOcc 0
51 mol 218 unq 0 iso 0 dist 9.6309 9.24732 8.86175 5.64434 8.04838 3.8877 numMergedOcc 0
52 mol 218 unq 1 iso 0 dist 9.6309 10.8948 6.29511 5.64434 8.04838 6.0516 numMergedOcc 0
53 mol 225 unq 0 iso 0 dist 8.28454 10.754 8.87609 11.1052 9.87668 17.3148 numMergedOcc 0
54 mol 225 unq 1 iso 0 dist 8.28454 10.754 8.87609 3.60045 8.42121 13.3773 numMergedOcc 0
55 mol 225 unq 2 iso 0 dist 8.28454 10.754 8.87609 12.7272 7.8744 3.97158 numMergedOcc 0
56 mol 225 unq 3 iso 0 dist 8.28454 10.754 8.87609 10.6169 4.98402 9.9875 numMergedOcc 0
57 mol 227 unq 0 iso 0 dist 8.12518 12.3465 8.38865 10.4658 5.28771 4.1511 numMergedOcc 0
58 mol 227 unq 1 iso 0 dist 8.12518 7.2593 5.4694 10.4658 5.28771 4.69247 numMergedOcc 0
59 mol 236 unq 0 iso 0 dist 8.38439 4.15973 8.50331 7.9415 9.14068 11.5307 numMergedOcc 0
60 mol 237 unq 0 iso 0 dist 9.74081 4.37008 7.42587 6.94282 8.7414 6.01528 numMergedOcc 0
61 mol 251 unq 0 iso 0 dist 8.38382 8.64172 8.01198 10.909 6.42747 4.86046 numMergedOcc 0
62 mol 252 unq 0 iso 0 dist 5.22349 8.32163 6.11473 10.7358 9.39658 5.6214 numMergedOcc 0
63 mol 252 unq 1 iso 0 dist 9.81593 8.32163 8.47784 9.75376 8.19529 6.62402 numMergedOcc 0
64 mol 252 unq 2 iso 0 dist 9.81593 8.32163 8.47784 10.8474 6.45396 10.2463 numMergedOcc 0
65 mol 252 unq 3 iso 0 dist 9.81593 10.6815 8.66469 9.75376 8.19529 8.71281 numMergedOcc 0
66 mol 252 unq 4 iso 0 dist 9.81593 10.6815 8.66469 10.8474 6.45396 4.54582 numMergedOcc 0
67 mol 252 unq 5 iso 0 dist 9.78248 16.5062 8.47784 12.4311 8.19529 6.62402 numMergedOcc 0
68 mol 252 unq 6 iso 0 dist 9.78248 16.5062 8.47784 8.1205 6.45396 10.2463 numMergedOcc 0
69 mol 252 unq 7 iso 0 dist 9.78248 9.67333 8.66469 12.4311 8.19529 8.71281 numMergedOcc 0
70 mol 252 unq 8 iso 0 dist 9.78248 9.67333 8.66469 8.1205 6.45396 4.54582 numMergedOcc 0
71 mol 264 unq 0 iso 0 dist 8.28871 11.5671 6.04162 3.63202 7.14086 11.4167 numMergedOcc 0
72 mol 264 unq 1 iso 0 dist 8.28871 13.8765 6.14323 3.63202 7.14086 13.2035 numMergedOcc 0
73 mol 264 unq 2 iso 0 dist 7.94668 5.21164 6.04162 13.3131 7.14086 11.4167 numMergedOcc 0
74 mol 264 unq 3 iso 0 dist 7.94668 6.12009 6.14323 13.3131 7.14086 13.2035 numMergedOcc 0
75 mol 279 unq 0 iso 0 dist 5.63154 5.15837 8.29305 3.77031 5.8304 6.5644 numMergedOcc 0
76 mol 279 unq 1 iso 0 dist 5.63154 5.15837 8.29305 9.11782 7.37478 8.70069 numMergedOcc 0
77 mol 279 unq 2 iso 0 dist 5.63154 8.33297 6.43341 3.77031 5.8304 9.40912 numMergedOcc 0
78 mol 279 unq 3 iso 0 dist 5.63154 8.33297 6.43341 9.11782 7.37478 4.14939 numMergedOcc 0
