0 mol 48 unq 0 iso 0 dist 9.04514 9.66389 5.35252 11.1779 5.03338 7.38928 13.5738 5.43494 9.40644 8.74683 numMergedOcc 0
1 mol 73 unq 0 iso 0 dist 9.27044 12.456 7.58027 18.4312 9.96367 8.4438 8.98208 3.73929 4.34694 9.65371 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 8.98208 12.456 4.34694 18.4312 9.65371 8.4438 9.27044 3.73929 7.58027 9.96367 numMergedOcc 0
3 mol 73 unq 2 iso 0 dist 8.73093 12.3943 7.48556 13.118 4.97519 5.92936 9.1622 8.96403 9.47045 9.95663 numMergedOcc 0
4 mol 73 unq 3 iso 0 dist 8.73093 12.3943 7.48556 13.118 4.97519 5.92936 12.2532 7.99821 8.68218 6.87319 numMergedOcc 0
5 mol 73 unq 4 iso 0 dist 9.1622 12.3943 9.47045 13.118 9.95663 5.92936 8.73093 8.96403 7.48556 4.97519 numMergedOcc 0
6 mol 73 unq 5 iso 0 dist 9.1622 12.3943 9.47045 13.118 9.95663 5.92936 12.2532 4.84196 8.68218 6.87319 numMergedOcc 0
7 mol 73 unq 6 iso 0 dist 8.02104 9.57143 7.48556 11.5539 4.97519 5.92936 7.59013 8.96403 9.47045 9.95663 numMergedOcc 0
8 mol 73 unq 7 iso 0 dist 8.02104 9.57143 7.48556 11.5539 4.97519 5.92936 10.8016 7.99821 8.68218 6.87319 numMergedOcc 0
9 mol 73 unq 8 iso 0 dist 7.59013 9.57143 9.47045 11.5539 9.95663 5.92936 8.02104 8.96403 7.48556 4.97519 numMergedOcc 0
10 mol 73 unq 9 iso 0 dist 7.59013 9.57143 9.47045 11.5539 9.95663 5.92936 10.8016 4.84196 8.68218 6.87319 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 8.23356 5.86578 6.56481 11.9113 5.73608 7.81042 13.9005 11.6637 8.078 8.96379 numMergedOcc 0
12 mol 159 unq 0 iso 0 dist 8.20121 10.242 6.86212 12.5372 8.83633 7.60912 16.6101 9.76045 9.54337 6.50839 numMergedOcc 0
13 mol 159 unq 1 iso 0 dist 8.20121 10.242 6.86212 12.5372 8.83633 7.60912 7.52779 4.82545 9.9368 13.4546 numMergedOcc 0
14 mol 159 unq 2 iso 0 dist 7.52779 10.242 9.9368 12.5372 13.4546 7.60912 16.6101 14.3749 9.54337 6.50839 numMergedOcc 0
15 mol 159 unq 3 iso 0 dist 7.52779 10.242 9.9368 12.5372 13.4546 7.60912 8.20121 4.82545 6.86212 8.83633 numMergedOcc 0
16 mol 183 unq 0 iso 0 dist 7.67623 10.7145 8.29364 11.9056 6.39127 7.69421 12.2166 5.77399 8.97652 9.01399 numMergedOcc 0
17 mol 183 unq 1 iso 0 dist 7.99897 4.0252 8.29364 7.38821 6.39127 7.69421 11.0442 5.77399 8.97652 9.01399 numMergedOcc 0
18 mol 183 unq 2 iso 0 dist 7.58913 5.66126 8.29364 10.6152 6.39127 7.69421 6.0782 5.77399 8.97652 9.01399 numMergedOcc 0
19 mol 183 unq 3 iso 0 dist 6.0782 5.66126 8.97652 10.6152 9.01399 7.69421 7.58913 5.77399 8.29364 6.39127 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 6.36789 12.6035 6.72718 9.89709 6.12748 7.02662 15.9248 10.4327 8.72949 8.01622 numMergedOcc 0
21 mol 189 unq 0 iso 0 dist 9.01418 10.2802 9.47321 13.0356 8.03657 5.11059 17.3612 10.4321 9.95686 4.92169 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 9.78743 13.2525 6.2016 7.252 5.21255 7.30965 11.7278 6.63296 8.3453 5.1366 numMergedOcc 0
23 mol 245 unq 0 iso 0 dist 9.59668 5.43086 7.95061 11.5225 11.8346 7.26913 15.2251 14.3262 9.96585 6.25662 numMergedOcc 0
24 mol 245 unq 1 iso 0 dist 9.59668 5.43086 7.95061 11.5225 11.8346 7.26913 12.3939 9.67137 7.27022 4.38291 numMergedOcc 0
25 mol 245 unq 2 iso 0 dist 9.59668 5.43086 7.95061 6.58637 3.53109 6.41862 15.2251 14.3262 9.96585 14.6391 numMergedOcc 0
26 mol 245 unq 3 iso 0 dist 9.59668 5.43086 7.95061 6.58637 3.53109 6.41862 12.3939 9.67137 7.27022 10.1523 numMergedOcc 0
27 mol 245 unq 4 iso 0 dist 9.59668 5.43086 7.95061 5.48167 9.71014 8.69377 15.2251 14.3262 9.96585 17.4904 numMergedOcc 0
28 mol 245 unq 5 iso 0 dist 9.59668 5.43086 7.95061 5.48167 9.71014 8.69377 12.3939 9.67137 7.27022 13.6404 numMergedOcc 0
29 mol 245 unq 6 iso 0 dist 9.59668 14.5112 9.5096 12.7508 4.20594 8.26223 12.8137 7.00614 8.0848 4.03241 numMergedOcc 0
30 mol 266 unq 0 iso 0 dist 7.3055 6.1113 6.57444 10.0039 13.1376 9.63694 11.9279 5.77131 7.9555 14.6225 numMergedOcc 0
31 mol 266 unq 1 iso 0 dist 7.3055 6.1113 6.57444 10.8326 5.91091 6.58277 11.9279 5.77131 7.9555 3.93133 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 7.3388 5.66584 6.96774 12.4464 10.4601 8.0935 6.96248 7.11169 7.14859 8.13485 numMergedOcc 0
33 mol 287 unq 1 iso 0 dist 6.96248 5.66584 7.14859 12.4464 8.13485 8.0935 7.3388 7.11169 6.96774 10.4601 numMergedOcc 0
34 mol 288 unq 0 iso 0 dist 7.3388 5.66584 6.96774 12.4464 10.4601 8.0935 6.96248 7.11169 7.14859 8.13485 numMergedOcc 0
35 mol 288 unq 1 iso 0 dist 6.96248 5.66584 7.14859 12.4464 8.13485 8.0935 7.3388 7.11169 6.96774 10.4601 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 7.3388 5.66584 6.96774 12.4464 10.4601 8.0935 6.96248 7.11169 7.14859 8.13485 numMergedOcc 0
37 mol 289 unq 1 iso 0 dist 6.96248 5.66584 7.14859 12.4464 8.13485 8.0935 7.3388 7.11169 6.96774 10.4601 numMergedOcc 0
