0 mol 24 unq 0 iso 0 dist 6.80849 13.9888 8.86116 10.1696 8.38394 6.44287 20.1114 14.012 9.41441 15.392 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 6.00307 7.95074 7.57578 10.3928 7.17969 4.33106 10.0899 6.08585 8.50222 7.55264 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 6.00307 10.3928 7.17969 7.95074 7.57578 4.33106 10.0899 6.08585 7.55264 8.50222 numMergedOcc 0
3 mol 54 unq 0 iso 0 dist 6.13476 10.0565 6.83299 13.1047 9.5589 5.08001 6.54052 4.29856 6.14538 10.6808 numMergedOcc 0
4 mol 54 unq 1 iso 0 dist 6.13476 10.0565 6.83299 5.77448 8.10861 14.2075 6.54052 4.29856 6.14538 10.4158 numMergedOcc 0
5 mol 75 unq 0 iso 0 dist 8.64872 10.4239 7.79912 12.0967 8.56639 5.64643 15.5881 11.4997 9.81166 14.6043 numMergedOcc 0
6 mol 75 unq 1 iso 0 dist 8.64872 10.4239 7.79912 9.60759 8.59017 10.4899 15.5881 11.4997 9.81166 18.7078 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 4.31067 9.04817 5.08437 4.70157 6.48948 9.51923 8.33845 7.06961 6.7117 9.42961 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 4.31067 9.04817 5.08437 6.21302 6.10456 8.40073 8.33845 7.06961 6.7117 4.47349 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 4.31067 6.21302 6.10456 9.04817 5.08437 8.40073 8.33845 7.06961 4.47349 6.7117 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 4.31067 6.21302 6.10456 4.70157 6.48948 9.42358 8.33845 7.06961 4.47349 9.42961 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 8.94909 8.76089 7.11802 6.80087 8.00618 8.18495 13.7203 16.0138 9.22232 12.7901 numMergedOcc 0
12 mol 133 unq 1 iso 0 dist 8.94909 8.76089 7.11802 6.80087 8.00618 8.18495 12.3907 5.92062 9.22661 13.5028 numMergedOcc 0
13 mol 133 unq 2 iso 0 dist 8.94909 8.76089 7.11802 6.80087 8.00618 8.18495 14.2267 6.61891 7.56378 11.8433 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 7.15963 14.1493 9.1374 6.73556 5.98885 8.88798 12.8705 6.6251 6.2479 7.99195 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 7.15963 14.1493 9.1374 5.49666 9.15386 12.1628 12.8705 6.6251 6.2479 12.8533 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 7.15963 6.73556 5.98885 14.1493 9.1374 8.88798 5.87853 5.6044 9.72611 14.2254 numMergedOcc 0
17 mol 181 unq 3 iso 0 dist 7.15963 6.73556 5.98885 14.1493 9.1374 8.88798 12.8705 6.6251 7.99195 6.2479 numMergedOcc 0
18 mol 181 unq 4 iso 0 dist 7.15963 6.73556 5.98885 5.49666 9.15386 5.16002 5.87853 5.6044 9.72611 10.428 numMergedOcc 0
19 mol 181 unq 5 iso 0 dist 7.15963 6.73556 5.98885 5.49666 9.15386 5.16002 12.8705 6.6251 7.99195 12.8533 numMergedOcc 0
20 mol 204 unq 0 iso 0 dist 6.20646 8.35604 8.51516 5.21426 7.10633 10.8344 10.6991 5.86489 7.32294 11.5776 numMergedOcc 0
21 mol 204 unq 1 iso 0 dist 6.73266 12.1292 8.51516 5.57112 7.10633 10.8344 9.639 5.86489 7.32294 11.5776 numMergedOcc 0
22 mol 234 unq 0 iso 0 dist 7.17032 5.44278 6.56247 9.25445 9.45496 5.88703 10.7082 4.46561 9.81425 13.293 numMergedOcc 0
23 mol 259 unq 0 iso 0 dist 5.29682 5.56656 8.13497 5.48552 8.53687 10.582 10.7258 8.41846 7.98231 15.5791 numMergedOcc 0
24 mol 259 unq 1 iso 0 dist 6.20344 5.56656 7.88519 6.08432 7.84554 4.86771 10.7258 8.81835 7.98231 11.6972 numMergedOcc 0
25 mol 259 unq 2 iso 0 dist 6.20344 5.56656 7.88519 10.3156 7.46176 6.96053 10.7258 8.81835 7.98231 7.08526 numMergedOcc 0
26 mol 259 unq 3 iso 0 dist 6.20344 5.56656 7.88519 9.55719 9.18903 10.4881 10.7258 8.81835 7.98231 15.8414 numMergedOcc 0
27 mol 259 unq 4 iso 0 dist 6.20344 10.3156 7.46176 5.56656 7.88519 6.96053 10.7258 8.81835 7.08526 7.98231 numMergedOcc 0
28 mol 259 unq 5 iso 0 dist 6.20344 10.3156 7.46176 6.08432 7.84554 7.64658 10.7258 8.81835 7.08526 11.6972 numMergedOcc 0
29 mol 259 unq 6 iso 0 dist 6.20344 10.3156 7.46176 9.55719 9.18903 10.5239 10.7258 8.81835 7.08526 15.8414 numMergedOcc 0
30 mol 261 unq 0 iso 0 dist 6.85589 4.31412 8.43057 5.85483 7.73141 10.1239 10.8278 8.29908 8.43974 14.8495 numMergedOcc 0
