0 mol 41 unq 0 iso 0 dist 6.51139 10.8697 6.75602 12.162 10.3589 9.75377 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 9.04514 9.66389 5.35252 13.5738 5.43494 9.40644 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 9.70196 4.64745 8.16246 9.25341 5.58256 9.48823 numMergedOcc 0
3 mol 54 unq 1 iso 0 dist 9.25341 4.64745 9.48823 9.70196 5.58256 8.16246 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 8.95571 11.806 9.24055 10.6565 5.25318 5.24742 numMergedOcc 0
5 mol 55 unq 1 iso 0 dist 8.95571 12.3757 9.66898 10.6565 5.25318 9.29433 numMergedOcc 0
6 mol 67 unq 0 iso 0 dist 8.62244 10.5984 7.15248 17.6779 11.9277 7.51967 numMergedOcc 0
7 mol 67 unq 1 iso 0 dist 8.62244 10.5984 7.15248 14.6176 9.42543 6.04303 numMergedOcc 0
8 mol 67 unq 2 iso 0 dist 8.62244 9.67456 8.43162 14.6176 9.42543 6.12267 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 9.27044 12.456 7.58027 8.98208 3.73929 4.34694 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 8.98208 12.456 4.34694 9.27044 3.73929 7.58027 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 8.73093 12.3943 7.48556 9.1622 8.96403 9.47045 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 8.73093 12.3943 7.48556 12.2532 7.99821 8.68218 numMergedOcc 0
13 mol 73 unq 4 iso 0 dist 9.1622 17.0484 8.07498 12.2532 4.84196 7.46419 numMergedOcc 0
14 mol 73 unq 5 iso 0 dist 9.1622 17.0484 8.07498 14.8654 6.75212 7.18693 numMergedOcc 0
15 mol 73 unq 6 iso 0 dist 9.1622 12.3943 9.47045 8.73093 8.96403 7.48556 numMergedOcc 0
16 mol 73 unq 7 iso 0 dist 9.1622 12.3943 9.47045 12.2532 4.84196 8.68218 numMergedOcc 0
17 mol 73 unq 8 iso 0 dist 8.02104 9.57143 7.48556 7.59013 8.96403 9.47045 numMergedOcc 0
18 mol 73 unq 9 iso 0 dist 8.02104 9.57143 7.48556 10.8016 7.99821 8.68218 numMergedOcc 0
19 mol 73 unq 10 iso 0 dist 7.59013 14.8028 8.07498 10.8016 4.84196 7.46419 numMergedOcc 0
20 mol 73 unq 11 iso 0 dist 7.59013 14.8028 8.07498 13.93 6.75212 7.18693 numMergedOcc 0
21 mol 73 unq 12 iso 0 dist 7.59013 9.57143 9.47045 8.02104 8.96403 7.48556 numMergedOcc 0
22 mol 73 unq 13 iso 0 dist 7.59013 9.57143 9.47045 10.8016 4.84196 8.68218 numMergedOcc 0
23 mol 103 unq 0 iso 0 dist 8.23356 5.86578 6.56481 13.9005 11.6637 8.078 numMergedOcc 0
24 mol 116 unq 0 iso 0 dist 9.62357 15.1223 6.61973 11.9107 4.48374 6.53824 numMergedOcc 0
25 mol 159 unq 0 iso 0 dist 8.20121 10.242 6.86212 16.6101 9.76045 9.54337 numMergedOcc 0
26 mol 159 unq 1 iso 0 dist 8.20121 10.242 6.86212 7.52779 4.82545 9.9368 numMergedOcc 0
27 mol 159 unq 2 iso 0 dist 7.52779 10.242 9.9368 16.6101 14.3749 9.54337 numMergedOcc 0
28 mol 159 unq 3 iso 0 dist 7.52779 10.242 9.9368 8.20121 4.82545 6.86212 numMergedOcc 0
29 mol 183 unq 0 iso 0 dist 7.67623 10.7145 8.29364 12.2166 5.77399 8.97652 numMergedOcc 0
30 mol 183 unq 1 iso 0 dist 7.99897 4.0252 8.29364 11.0442 5.77399 8.97652 numMergedOcc 0
31 mol 183 unq 2 iso 0 dist 7.58913 5.66126 8.29364 6.0782 5.77399 8.97652 numMergedOcc 0
32 mol 183 unq 3 iso 0 dist 6.0782 5.66126 8.97652 7.58913 5.77399 8.29364 numMergedOcc 0
33 mol 186 unq 0 iso 0 dist 6.36789 12.6035 6.72718 15.9248 10.4327 8.72949 numMergedOcc 0
34 mol 187 unq 0 iso 0 dist 7.87608 8.91643 8.0501 13.7054 11.6883 5.58167 numMergedOcc 0
35 mol 189 unq 0 iso 0 dist 9.01418 10.2802 9.47321 17.3612 10.4321 9.95686 numMergedOcc 0
36 mol 192 unq 0 iso 0 dist 5.21088 4.65303 7.36571 12.3136 11.1205 9.80122 numMergedOcc 0
37 mol 192 unq 1 iso 0 dist 5.21088 4.65303 7.36571 8.25609 8.74203 9.17137 numMergedOcc 0
38 mol 192 unq 2 iso 0 dist 9.78743 13.2525 6.2016 11.7278 6.63296 8.3453 numMergedOcc 0
39 mol 192 unq 3 iso 0 dist 8.25609 4.65303 9.17137 5.21088 8.74203 7.36571 numMergedOcc 0
40 mol 192 unq 4 iso 0 dist 8.25609 4.65303 9.17137 12.3136 8.95038 9.80122 numMergedOcc 0
41 mol 205 unq 0 iso 0 dist 8.47833 11.2438 6.43519 14.7719 9.98031 4.81837 numMergedOcc 0
42 mol 205 unq 1 iso 0 dist 5.47586 7.47443 6.43519 10.6964 9.98031 4.81837 numMergedOcc 0
43 mol 243 unq 0 iso 0 dist 9.58608 14.2074 8.78924 11.4335 4.56434 4.64178 numMergedOcc 0
44 mol 243 unq 1 iso 0 dist 9.58608 5.80426 7.70472 11.4335 4.56434 9.16988 numMergedOcc 0
45 mol 245 unq 0 iso 0 dist 9.59668 5.43086 7.95061 15.2251 14.3262 9.96585 numMergedOcc 0
46 mol 245 unq 1 iso 0 dist 9.59668 5.43086 7.95061 12.3939 9.67137 7.27022 numMergedOcc 0
47 mol 245 unq 2 iso 0 dist 9.59668 14.5112 9.5096 12.8137 7.00614 8.0848 numMergedOcc 0
48 mol 258 unq 0 iso 0 dist 8.17026 6.30651 5.53369 14.7671 9.10334 9.48772 numMergedOcc 0
49 mol 258 unq 1 iso 0 dist 8.17026 6.30651 5.53369 8.43002 6.94631 8.57274 numMergedOcc 0
50 mol 258 unq 2 iso 0 dist 8.43002 6.30651 8.57274 14.7671 10.4538 9.48772 numMergedOcc 0
51 mol 258 unq 3 iso 0 dist 8.43002 6.30651 8.57274 8.17026 6.94631 5.53369 numMergedOcc 0
52 mol 266 unq 0 iso 0 dist 7.3055 6.1113 6.57444 11.9279 5.77131 7.9555 numMergedOcc 0
53 mol 285 unq 0 iso 0 dist 7.38536 6.37482 6.32984 13.5396 8.70014 7.872 numMergedOcc 0
54 mol 287 unq 0 iso 0 dist 6.19545 5.27724 5.15923 12.2535 7.06161 8.40726 numMergedOcc 0
55 mol 287 unq 1 iso 0 dist 7.3388 5.66584 6.96774 6.96248 7.11169 7.14859 numMergedOcc 0
56 mol 287 unq 2 iso 0 dist 6.96248 5.66584 7.14859 7.3388 7.11169 6.96774 numMergedOcc 0
57 mol 288 unq 0 iso 0 dist 6.19545 5.27724 5.15923 12.2535 7.06161 8.40726 numMergedOcc 0
58 mol 288 unq 1 iso 0 dist 7.3388 5.66584 6.96774 6.96248 7.11169 7.14859 numMergedOcc 0
59 mol 288 unq 2 iso 0 dist 6.96248 5.66584 7.14859 7.3388 7.11169 6.96774 numMergedOcc 0
60 mol 289 unq 0 iso 0 dist 6.19545 5.27724 5.15923 12.2535 7.06161 8.40726 numMergedOcc 0
61 mol 289 unq 1 iso 0 dist 7.3388 5.66584 6.96774 6.96248 7.11169 7.14859 numMergedOcc 0
62 mol 289 unq 2 iso 0 dist 6.96248 5.66584 7.14859 7.3388 7.11169 6.96774 numMergedOcc 0
