0 mol 24 unq 0 iso 0 dist 6.72502 11.2106 9.40479 9.30028 13.3652 9.65174 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.72502 5.97304 9.38831 14.9512 15.0537 9.41655 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.72502 5.97304 9.38831 12.1131 12.8421 6.803 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 4.93188 14.4162 9.58012 8.23075 4.21283 8.56274 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 9.24958 10.0655 9.58012 10.551 4.21283 8.56274 numMergedOcc 0
5 mol 28 unq 0 iso 0 dist 7.28416 10.2179 5.63315 12.7348 5.51163 7.66985 numMergedOcc 0
6 mol 28 unq 1 iso 0 dist 7.28416 10.2179 5.63315 8.95154 6.37119 9.17482 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 9.93832 7.05402 7.31982 7.39848 6.59887 9.82307 numMergedOcc 0
8 mol 43 unq 1 iso 0 dist 8.60739 5.48048 7.31982 11.4251 6.59887 9.82307 numMergedOcc 0
9 mol 55 unq 0 iso 0 dist 9.78051 4.97078 6.13181 12.2161 3.98123 9.63353 numMergedOcc 0
10 mol 93 unq 0 iso 0 dist 9.81831 11.6865 5.51624 14.4051 5.99863 9.30843 numMergedOcc 0
11 mol 93 unq 1 iso 0 dist 9.81831 12.2598 7.8674 14.4051 5.99863 6.25522 numMergedOcc 0
12 mol 93 unq 2 iso 0 dist 9.81831 12.2598 7.8674 15.275 6.15015 7.87145 numMergedOcc 0
13 mol 93 unq 3 iso 0 dist 9.81831 12.2598 7.8674 18.8402 10.9803 9.30914 numMergedOcc 0
14 mol 93 unq 4 iso 0 dist 9.12858 7.64463 5.51624 14.2439 5.99863 9.30843 numMergedOcc 0
15 mol 93 unq 5 iso 0 dist 9.12858 14.8533 7.8674 14.2439 5.99863 6.25522 numMergedOcc 0
16 mol 93 unq 6 iso 0 dist 9.12858 14.8533 7.8674 15.2216 6.15015 7.87145 numMergedOcc 0
17 mol 93 unq 7 iso 0 dist 9.12858 14.8533 7.8674 19.9253 10.9803 9.30914 numMergedOcc 0
18 mol 93 unq 8 iso 0 dist 9.4523 8.29171 5.51624 11.2863 5.99863 9.30843 numMergedOcc 0
19 mol 93 unq 9 iso 0 dist 9.4523 12.7936 7.8674 11.2863 5.99863 6.25522 numMergedOcc 0
20 mol 93 unq 10 iso 0 dist 9.4523 12.7936 7.8674 14.6786 6.15015 7.87145 numMergedOcc 0
21 mol 93 unq 11 iso 0 dist 9.4523 12.7936 7.8674 19.377 10.9803 9.30914 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 7.77116 4.91132 8.03035 10.1864 10.7475 7.62197 numMergedOcc 0
23 mol 131 unq 0 iso 0 dist 9.15431 7.21005 7.76594 11.6414 9.93041 4.48699 numMergedOcc 0
24 mol 131 unq 1 iso 0 dist 6.92648 11.5688 7.76594 15.2551 9.93041 4.48699 numMergedOcc 0
25 mol 131 unq 2 iso 0 dist 9.29384 15.7796 7.76594 18.8134 9.93041 4.48699 numMergedOcc 0
26 mol 140 unq 0 iso 0 dist 5.39064 8.83949 6.98813 16.0661 12.005 8.3735 numMergedOcc 0
27 mol 140 unq 1 iso 0 dist 8.64368 5.11372 5.39314 12.4216 4.77448 8.3735 numMergedOcc 0
28 mol 140 unq 2 iso 0 dist 8.64368 4.46582 5.3573 12.4216 4.77448 9.25342 numMergedOcc 0
29 mol 143 unq 0 iso 0 dist 8.41611 10.8441 5.73236 12.5672 5.29609 8.56866 numMergedOcc 0
30 mol 143 unq 1 iso 0 dist 8.41611 10.8441 5.73236 8.99891 7.87644 5.66207 numMergedOcc 0
31 mol 152 unq 0 iso 0 dist 9.77552 7.2238 6.39031 7.55934 6.69469 9.48674 numMergedOcc 0
32 mol 152 unq 1 iso 0 dist 8.28642 5.59336 6.39031 11.2397 6.69469 9.48674 numMergedOcc 0
33 mol 152 unq 2 iso 0 dist 8.35555 7.78913 8.60521 6.79114 4.78989 5.42715 numMergedOcc 0
34 mol 152 unq 3 iso 0 dist 8.35555 7.78913 8.60521 7.59457 9.43672 9.70575 numMergedOcc 0
35 mol 152 unq 4 iso 0 dist 8.35555 5.70788 6.39031 6.79114 4.78989 7.34557 numMergedOcc 0
36 mol 156 unq 0 iso 0 dist 9.31851 13.6634 8.06913 16.2484 7.91467 5.22104 numMergedOcc 0
37 mol 156 unq 1 iso 0 dist 9.43259 10.7023 5.90883 11.8936 6.69196 5.22104 numMergedOcc 0
38 mol 156 unq 2 iso 0 dist 6.2319 10.7023 8.06913 11.8936 7.91467 5.22104 numMergedOcc 0
39 mol 156 unq 3 iso 0 dist 9.97732 9.00862 8.06913 12.1503 7.91467 5.22104 numMergedOcc 0
40 mol 162 unq 0 iso 0 dist 6.20182 6.69868 8.53374 7.93088 5.21512 5.97934 numMergedOcc 0
41 mol 163 unq 0 iso 0 dist 8.38738 6.94217 7.3546 12.4768 14.9976 7.69757 numMergedOcc 0
42 mol 175 unq 0 iso 0 dist 5.4969 4.24624 7.32419 9.19156 6.41193 7.6741 numMergedOcc 0
43 mol 175 unq 1 iso 0 dist 6.4318 4.24624 8.31961 9.19156 10.568 7.6741 numMergedOcc 0
44 mol 186 unq 0 iso 0 dist 6.72641 8.12143 7.23293 14.6993 9.42515 8.46395 numMergedOcc 0
45 mol 186 unq 1 iso 0 dist 9.83476 6.87725 8.12349 10.0218 6.3786 9.12783 numMergedOcc 0
46 mol 194 unq 0 iso 0 dist 6.26839 6.66155 5.52678 9.52922 7.82899 5.13892 numMergedOcc 0
47 mol 194 unq 1 iso 0 dist 6.26839 6.66155 5.52678 11.7672 10.0237 5.78717 numMergedOcc 0
48 mol 194 unq 2 iso 0 dist 6.26839 5.4499 9.81666 9.52922 7.82899 8.2232 numMergedOcc 0
49 mol 194 unq 3 iso 0 dist 8.12346 6.12973 5.52678 11.2599 7.82899 5.13892 numMergedOcc 0
50 mol 194 unq 4 iso 0 dist 8.12346 6.12973 5.52678 11.0369 10.0237 5.78717 numMergedOcc 0
51 mol 194 unq 5 iso 0 dist 8.12346 11.0239 9.81666 11.2599 7.82899 8.2232 numMergedOcc 0
52 mol 194 unq 6 iso 0 dist 8.83356 13.0333 5.52678 14.7152 7.82899 5.13892 numMergedOcc 0
53 mol 194 unq 7 iso 0 dist 8.83356 13.0333 5.52678 15.9798 10.0237 5.78717 numMergedOcc 0
54 mol 194 unq 8 iso 0 dist 8.83356 18.6469 9.81666 14.7152 7.82899 8.2232 numMergedOcc 0
55 mol 194 unq 9 iso 0 dist 8.2654 10.1796 5.52678 14.7929 7.82899 5.13892 numMergedOcc 0
56 mol 194 unq 10 iso 0 dist 8.2654 10.1796 5.52678 15.7836 10.0237 5.78717 numMergedOcc 0
57 mol 194 unq 11 iso 0 dist 8.2654 13.5457 9.81666 14.7929 7.82899 8.2232 numMergedOcc 0
58 mol 237 unq 0 iso 0 dist 9.4811 6.46131 7.31113 13.9223 5.15592 9.61703 numMergedOcc 0
59 mol 237 unq 1 iso 0 dist 6.50471 9.59927 7.31113 11.0948 5.15592 9.61703 numMergedOcc 0
60 mol 237 unq 2 iso 0 dist 7.42587 13.1083 9.84466 15.2983 8.0982 9.61703 numMergedOcc 0
61 mol 252 unq 0 iso 0 dist 6.53679 6.28227 8.55481 14.2216 14.8966 8.38453 numMergedOcc 0
62 mol 252 unq 1 iso 0 dist 7.50201 5.25252 8.55481 12.9602 14.8966 8.38453 numMergedOcc 0
63 mol 264 unq 0 iso 0 dist 7.52281 4.48907 5.74568 12.2625 7.06901 8.78525 numMergedOcc 0
64 mol 264 unq 1 iso 0 dist 6.42588 10.1591 5.74568 13.2341 7.06901 8.78525 numMergedOcc 0
