0 mol 25 unq 0 iso 0 dist 8.83402 15.9975 9.26381 5.03904 8.27137 14.9746 numMergedOcc 0
1 mol 62 unq 0 iso 0 dist 6.49446 7.41234 5.78968 5.06459 7.30651 6.44497 numMergedOcc 0
2 mol 78 unq 0 iso 0 dist 5.8409 14.0613 8.61468 10.8182 7.32064 7.18645 numMergedOcc 0
3 mol 78 unq 1 iso 0 dist 5.8409 14.0613 8.61468 9.73666 5.24136 6.85342 numMergedOcc 0
4 mol 78 unq 2 iso 0 dist 5.8409 14.0613 8.61468 10.6235 6.44687 10.4457 numMergedOcc 0
5 mol 78 unq 3 iso 0 dist 5.8409 14.0613 8.61468 3.48199 5.85007 12.613 numMergedOcc 0
6 mol 78 unq 4 iso 0 dist 8.13368 14.0613 6.27186 10.8182 4.62314 7.18645 numMergedOcc 0
7 mol 78 unq 5 iso 0 dist 8.13368 14.0613 6.27186 9.73666 4.41745 6.85342 numMergedOcc 0
8 mol 78 unq 6 iso 0 dist 8.13368 14.0613 6.27186 3.48199 6.35234 12.613 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 6.28645 4.37155 8.28452 8.50179 6.12348 7.05148 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 6.28645 8.06688 8.44004 8.50179 6.12348 13.2701 numMergedOcc 0
11 mol 146 unq 0 iso 0 dist 9.5348 10.5644 5.3184 8.19476 6.93154 3.75935 numMergedOcc 0
12 mol 169 unq 0 iso 0 dist 6.57161 4.34059 8.56204 8.66931 6.27683 7.26442 numMergedOcc 0
13 mol 225 unq 0 iso 0 dist 7.11262 4.40718 9.21404 8.62768 9.27308 9.76833 numMergedOcc 0
14 mol 225 unq 1 iso 0 dist 7.11262 4.40718 9.21404 4.57447 7.25438 8.96906 numMergedOcc 0
15 mol 233 unq 0 iso 0 dist 7.09902 7.94379 9.49046 4.12865 8.7831 11.9355 numMergedOcc 0
16 mol 233 unq 1 iso 0 dist 7.09902 7.94379 9.49046 7.02682 9.61071 14.1168 numMergedOcc 0
17 mol 233 unq 2 iso 0 dist 7.09902 7.94379 9.49046 8.26863 7.1229 11.3928 numMergedOcc 0
18 mol 233 unq 3 iso 0 dist 7.09902 5.09438 7.24533 4.12865 8.7831 5.47357 numMergedOcc 0
19 mol 233 unq 4 iso 0 dist 7.09902 5.09438 7.24533 7.02682 9.61071 5.47592 numMergedOcc 0
20 mol 233 unq 5 iso 0 dist 7.09902 5.09438 7.24533 8.26863 7.1229 3.67394 numMergedOcc 0
21 mol 233 unq 6 iso 0 dist 8.73545 9.25213 9.49046 14.2672 8.7831 11.9355 numMergedOcc 0
22 mol 233 unq 7 iso 0 dist 8.73545 9.25213 9.49046 14.2649 9.61071 14.1168 numMergedOcc 0
23 mol 233 unq 8 iso 0 dist 8.73545 9.25213 9.49046 7.83075 7.1229 11.3928 numMergedOcc 0
24 mol 233 unq 9 iso 0 dist 8.73545 9.36487 7.24533 14.2672 8.7831 5.47357 numMergedOcc 0
25 mol 233 unq 10 iso 0 dist 8.73545 9.36487 7.24533 14.2649 9.61071 5.47592 numMergedOcc 0
26 mol 233 unq 11 iso 0 dist 8.73545 9.36487 7.24533 7.83075 7.1229 3.67394 numMergedOcc 0
27 mol 239 unq 0 iso 0 dist 7.45786 7.67507 6.84088 8.57494 7.63381 3.45727 numMergedOcc 0
28 mol 270 unq 0 iso 0 dist 4.60602 7.18911 6.55866 4.65147 6.46935 3.8694 numMergedOcc 0
29 mol 270 unq 1 iso 0 dist 4.60602 7.18911 6.55866 7.14116 5.98384 5.76483 numMergedOcc 0
30 mol 270 unq 2 iso 0 dist 6.62637 9.8916 6.55866 7.68003 6.46935 3.8694 numMergedOcc 0
31 mol 270 unq 3 iso 0 dist 6.62637 9.8916 6.55866 5.44817 5.98384 5.76483 numMergedOcc 0
32 mol 279 unq 0 iso 0 dist 8.40448 6.34151 7.98579 11.9684 8.41945 7.20921 numMergedOcc 0
33 mol 292 unq 0 iso 0 dist 6.84909 7.39939 5.76223 4.77692 5.72473 4.0294 numMergedOcc 0
