0 mol 21 unq 0 iso 0 dist 8.07914 7.30688 10.1117 5.32052 12.9639 9.39923 numMergedOcc 0
1 mol 29 unq 0 iso 0 dist 5.36278 9.64034 5.97852 6.69806 8.53135 8.58191 numMergedOcc 0
2 mol 29 unq 1 iso 0 dist 7.50258 6.04161 5.97852 5.82508 8.53135 8.58191 numMergedOcc 0
3 mol 33 unq 0 iso 0 dist 8.04019 7.82815 3.85975 6.90464 8.0346 9.03138 numMergedOcc 0
4 mol 33 unq 1 iso 0 dist 7.44828 7.82815 13.4442 6.90464 13.7522 9.03138 numMergedOcc 0
5 mol 48 unq 0 iso 0 dist 5.06188 7.78899 4.55422 11.2385 10.1097 8.63743 numMergedOcc 0
6 mol 56 unq 0 iso 0 dist 9.06142 6.34748 9.83589 13.2346 17.0371 7.89184 numMergedOcc 0
7 mol 56 unq 1 iso 0 dist 8.41264 6.34748 12.3293 13.2346 19.1222 7.89184 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 5.73235 6.14248 6.1999 8.50377 10.9974 9.78762 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 7.48127 6.97936 6.1999 16.2978 10.9974 9.78762 numMergedOcc 0
10 mol 87 unq 0 iso 0 dist 6.22441 6.21094 6.42891 4.54351 7.35921 9.08749 numMergedOcc 0
11 mol 87 unq 1 iso 0 dist 5.91543 6.21094 4.13495 4.54351 9.83067 9.08749 numMergedOcc 0
12 mol 98 unq 0 iso 0 dist 6.30896 6.84952 6.40382 5.45089 5.26536 4.79891 numMergedOcc 0
13 mol 129 unq 0 iso 0 dist 7.6453 8.85652 6.31483 13.2909 10.9673 8.46972 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 9.88178 5.20195 7.45747 5.57607 6.00896 6.41759 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 6.19457 9.67711 10.9652 14.3635 15.2132 8.09699 numMergedOcc 0
16 mol 195 unq 0 iso 0 dist 5.61326 7.75518 4.3166 10.8548 9.59601 5.66071 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 5.86839 6.50586 3.73699 6.38518 6.02053 7.18098 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 5.86839 6.50586 3.73699 12.4108 10.7757 9.27084 numMergedOcc 0
19 mol 205 unq 2 iso 0 dist 4.81837 5.63283 4.7106 5.07259 9.27861 7.84418 numMergedOcc 0
20 mol 205 unq 3 iso 0 dist 4.81837 5.63283 4.7106 6.25023 7.25362 6.92823 numMergedOcc 0
21 mol 205 unq 4 iso 0 dist 6.43519 5.63283 10.4922 5.07259 8.27071 7.84418 numMergedOcc 0
22 mol 205 unq 5 iso 0 dist 6.43519 5.63283 10.4922 6.25023 12.381 6.92823 numMergedOcc 0
23 mol 224 unq 0 iso 0 dist 7.03925 8.57781 4.67513 6.1168 5.07376 5.88041 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 7.58554 7.98794 7.26668 8.46058 7.10828 6.0567 numMergedOcc 0
25 mol 280 unq 0 iso 0 dist 4.45141 7.4869 4.06908 5.846 6.38295 6.16546 numMergedOcc 0
26 mol 283 unq 0 iso 0 dist 9.243 9.83098 13.1215 10.6738 16.9124 5.63358 numMergedOcc 0
