0 mol 24 unq 0 iso 0 dist 7.95042 5.86882 8.21811 6.58998 8.24948 7.43716 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 7.95042 9.9259 5.13078 6.58998 8.24948 6.79243 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 7.27472 11.7026 8.70016 10.0655 7.96195 8.74779 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 7.27472 10.576 6.15382 10.0655 7.96195 10.6773 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 7.27472 6.39013 6.63216 10.0655 7.96195 7.38627 numMergedOcc 0
5 mol 26 unq 0 iso 0 dist 9.12845 9.0558 8.13863 5.30734 6.38243 5.22495 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 9.8703 9.37436 9.68196 8.53692 8.05514 11.9941 numMergedOcc 0
7 mol 68 unq 1 iso 0 dist 7.39665 10.0669 9.68196 15.0902 8.05514 11.9941 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 7.06939 11.3241 8.806 6.08245 6.9223 12.323 numMergedOcc 0
9 mol 92 unq 1 iso 0 dist 7.06939 11.3241 8.806 6.86728 7.0561 15.2237 numMergedOcc 0
10 mol 95 unq 0 iso 0 dist 9.3948 14.2706 9.44847 14.484 7.27506 7.81468 numMergedOcc 0
11 mol 95 unq 1 iso 0 dist 9.3948 11.0946 6.05839 14.484 7.27506 5.45404 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 7.7988 5.2438 5.64143 7.83771 7.34602 5.47302 numMergedOcc 0
13 mol 112 unq 1 iso 0 dist 9.40824 6.69579 5.64143 11.4843 7.34602 5.47302 numMergedOcc 0
14 mol 112 unq 2 iso 0 dist 4.22363 6.68847 5.64143 9.97869 7.34602 5.47302 numMergedOcc 0
15 mol 119 unq 0 iso 0 dist 8.95212 7.36889 4.22806 13.52 9.57341 8.58511 numMergedOcc 0
16 mol 119 unq 1 iso 0 dist 6.99446 4.55137 4.22806 4.99056 9.57341 8.58511 numMergedOcc 0
17 mol 119 unq 2 iso 0 dist 7.64052 6.42493 4.22806 3.78311 9.57341 8.58511 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 6.42772 4.87167 5.35285 11.7434 6.99345 10.5101 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 9.33094 11.0384 6.71328 9.4027 5.11043 10.5101 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 9.1998 12.3235 5.35285 5.12325 6.99345 10.5101 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 8.69531 12.3235 6.71328 5.12325 5.11043 10.5101 numMergedOcc 0
22 mol 134 unq 4 iso 0 dist 8.70621 13.8191 5.35285 6.02179 6.99345 10.5101 numMergedOcc 0
23 mol 225 unq 0 iso 0 dist 8.1945 15.6387 9.12682 17.0241 9.57955 8.12785 numMergedOcc 0
24 mol 225 unq 1 iso 0 dist 8.1945 15.6387 9.12682 16.6392 9.87668 11.8248 numMergedOcc 0
25 mol 225 unq 2 iso 0 dist 6.50998 7.96183 9.12682 10.6484 9.57955 8.12785 numMergedOcc 0
26 mol 225 unq 3 iso 0 dist 6.50998 7.96183 9.12682 4.76151 9.87668 11.8248 numMergedOcc 0
27 mol 227 unq 0 iso 0 dist 5.23634 6.16261 8.60053 10.5813 9.43618 15.8396 numMergedOcc 0
28 mol 227 unq 1 iso 0 dist 6.91318 11.3848 8.60053 7.22396 9.43618 15.8396 numMergedOcc 0
29 mol 239 unq 0 iso 0 dist 6.73665 11.1638 9.24224 13.1624 8.88763 15.7372 numMergedOcc 0
30 mol 239 unq 1 iso 0 dist 6.73665 11.1638 9.24224 7.34872 6.43209 11.866 numMergedOcc 0
31 mol 239 unq 2 iso 0 dist 6.73665 11.1638 9.24224 8.9361 8.48769 6.327 numMergedOcc 0
32 mol 239 unq 3 iso 0 dist 9.34438 17.8983 9.24224 5.75834 8.88763 15.7372 numMergedOcc 0
33 mol 239 unq 4 iso 0 dist 9.34438 17.8983 9.24224 7.5231 6.43209 11.866 numMergedOcc 0
34 mol 239 unq 5 iso 0 dist 9.34438 17.8983 9.24224 14.4518 8.48769 6.327 numMergedOcc 0
35 mol 239 unq 6 iso 0 dist 9.35949 11.656 9.24224 10.7034 8.88763 15.7372 numMergedOcc 0
36 mol 239 unq 7 iso 0 dist 9.35949 11.656 9.24224 4.15997 6.43209 11.866 numMergedOcc 0
37 mol 239 unq 8 iso 0 dist 9.35949 11.656 9.24224 5.66218 8.48769 6.327 numMergedOcc 0
38 mol 252 unq 0 iso 0 dist 7.15764 3.6688 9.03266 13.9054 9.39658 13.2367 numMergedOcc 0
39 mol 252 unq 1 iso 0 dist 7.15764 3.6688 9.03266 7.63376 5.9974 7.10224 numMergedOcc 0
40 mol 273 unq 0 iso 0 dist 6.31969 4.01113 5.3725 5.9476 5.4307 5.23774 numMergedOcc 0
