0 mol 10 unq 0 iso 0 dist 8.44864 6.50444 3.92592 8.55472 5.66059 8.09253 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.25567 9.22183 6.64374 5.14352 11.2783 9.60699 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 9.27409 8.55202 4.07933 8.85515 8.90992 6.03151 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 9.25249 7.34638 11.5696 11.1108 16.3124 4.79891 numMergedOcc 0
4 mol 98 unq 1 iso 0 dist 5.94696 5.08983 3.92737 4.67787 8.48678 6.74197 numMergedOcc 0
5 mol 109 unq 0 iso 0 dist 8.48774 6.67635 7.60413 5.60821 11.2676 5.58623 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 6.09626 4.77996 5.08111 4.59061 7.03339 7.77418 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 8.4733 5.90003 10.3622 7.49885 15.3387 6.88175 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 5.49198 9.13697 6.06606 12.0027 11.45 6.41759 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 8.7311 9.13697 12.1477 12.0027 17.6605 6.41759 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 8.90876 7.30338 4.02702 5.97401 8.30857 5.21801 numMergedOcc 0
11 mol 171 unq 0 iso 0 dist 6.80086 6.51523 5.3374 12.1824 12.8765 8.09699 numMergedOcc 0
12 mol 171 unq 1 iso 0 dist 6.21194 6.76574 4.88147 5.67061 11.2168 9.38425 numMergedOcc 0
13 mol 184 unq 0 iso 0 dist 8.95598 8.27396 4.67256 11.2463 6.65725 9.07247 numMergedOcc 0
14 mol 193 unq 0 iso 0 dist 9.37035 7.85801 8.86693 13.518 15.189 8.28942 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 8.86587 8.69512 16.7363 7.43264 15.9875 7.84418 numMergedOcc 0
16 mol 205 unq 1 iso 0 dist 8.86587 8.69512 16.7363 12.1402 21.0026 6.92823 numMergedOcc 0
17 mol 222 unq 0 iso 0 dist 5.89818 8.86886 6.67077 6.45821 8.8394 7.61739 numMergedOcc 0
18 mol 222 unq 1 iso 0 dist 9.32543 8.86886 16.6736 6.45821 12.7485 7.61739 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 9.02071 7.15079 9.78219 12.746 16.8947 9.40401 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 9.02071 7.15079 9.78219 10.9845 11.6996 5.64169 numMergedOcc 0
