0 mol 7 unq 0 iso 0 dist 8.8576 10.4545 8.41585 14.2368 14.7759 9.68596 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 8.13365 10.5449 6.86014 8.12171 6.66749 9.41441 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.80849 13.9888 8.86116 20.1114 14.012 9.41441 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 6.00307 7.95074 7.57578 10.0899 6.08585 8.50222 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 6.00307 10.3928 7.17969 10.0899 6.08585 7.55264 numMergedOcc 0
5 mol 54 unq 0 iso 0 dist 6.13476 10.0565 6.83299 6.54052 4.29856 6.14538 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 7.66055 5.76106 6.81627 10.7031 7.09066 7.21955 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 8.64872 10.4239 7.79912 15.5881 11.4997 9.81166 numMergedOcc 0
8 mol 98 unq 0 iso 0 dist 4.31067 9.04817 5.08437 8.33845 7.06961 6.7117 numMergedOcc 0
9 mol 98 unq 1 iso 0 dist 4.31067 6.21302 6.10456 8.33845 7.06961 4.47349 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 6.47346 6.90896 5.83384 10.3572 4.55551 6.28565 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 6.47346 6.90896 5.83384 14.0252 10.5488 7.58957 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 9.05674 4.32516 6.5107 10.4378 7.12976 6.66772 numMergedOcc 0
13 mol 133 unq 1 iso 0 dist 8.94909 8.76089 7.11802 13.7203 16.0138 9.22232 numMergedOcc 0
14 mol 133 unq 2 iso 0 dist 8.94909 8.76089 7.11802 12.3907 5.92062 9.22661 numMergedOcc 0
15 mol 133 unq 3 iso 0 dist 8.94909 8.76089 7.11802 14.2267 6.61891 7.56378 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.50454 11.755 7.63312 15.6882 12.5387 5.94469 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 7.15963 14.1493 9.1374 12.8705 6.6251 6.2479 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 7.15963 6.73556 5.98885 5.87853 5.6044 9.72611 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 7.15963 6.73556 5.98885 12.8705 6.6251 7.99195 numMergedOcc 0
20 mol 181 unq 4 iso 0 dist 6.43406 10.9813 7.81386 9.0234 7.77758 5.94469 numMergedOcc 0
21 mol 181 unq 5 iso 0 dist 8.80581 10.209 7.63312 15.8529 12.5387 5.94469 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 6.44896 4.94984 5.59424 11.3948 8.49529 8.77999 numMergedOcc 0
23 mol 204 unq 0 iso 0 dist 6.20646 8.35604 8.51516 10.6991 5.86489 7.32294 numMergedOcc 0
24 mol 204 unq 1 iso 0 dist 6.73266 12.1292 8.51516 9.639 5.86489 7.32294 numMergedOcc 0
25 mol 205 unq 0 iso 0 dist 6.04106 12.9245 7.26832 18.1726 12.4957 6.03688 numMergedOcc 0
26 mol 210 unq 0 iso 0 dist 7.86668 5.06314 6.18308 11.3236 5.87279 7.10826 numMergedOcc 0
27 mol 234 unq 0 iso 0 dist 7.17032 5.44278 6.56247 10.7082 4.46561 9.81425 numMergedOcc 0
28 mol 239 unq 0 iso 0 dist 6.92721 9.00069 6.16342 10.5753 4.30299 8.84636 numMergedOcc 0
29 mol 241 unq 0 iso 0 dist 8.18588 10.2076 7.4631 10.0781 4.45049 7.89524 numMergedOcc 0
30 mol 259 unq 0 iso 0 dist 5.29682 5.56656 8.13497 10.7258 8.41846 7.98231 numMergedOcc 0
31 mol 259 unq 1 iso 0 dist 6.20344 5.56656 7.88519 10.7258 8.81835 7.98231 numMergedOcc 0
32 mol 259 unq 2 iso 0 dist 6.20344 10.3156 7.46176 10.7258 8.81835 7.08526 numMergedOcc 0
33 mol 261 unq 0 iso 0 dist 6.85589 4.31412 8.43057 10.8278 8.29908 8.43974 numMergedOcc 0
34 mol 261 unq 1 iso 0 dist 6.68878 4.31412 6.05727 10.8278 5.02383 8.43974 numMergedOcc 0
35 mol 282 unq 0 iso 0 dist 7.34596 4.36798 8.76532 11.3833 8.12478 9.0975 numMergedOcc 0
36 mol 282 unq 1 iso 0 dist 7.12228 4.36798 6.33524 11.3833 5.0324 9.0975 numMergedOcc 0
