0 mol 10 unq 0 iso 0 dist 8.44864 6.50444 3.92592 8.55472 5.66059 8.09253 14.2528 5.94028 9.24342 8.53436 numMergedOcc 0
1 mol 112 unq 0 iso 0 dist 6.09626 4.77996 5.08111 4.59061 7.03339 7.77418 6.30128 4.6963 5.96497 9.37708 numMergedOcc 0
2 mol 119 unq 0 iso 0 dist 8.4733 5.90003 10.3622 7.49885 15.3387 6.88175 8.39253 13.7956 4.80926 7.26463 numMergedOcc 0
3 mol 134 unq 0 iso 0 dist 5.49198 9.13697 6.06606 12.0027 11.45 6.41759 13.5964 9.66528 4.77133 7.94564 numMergedOcc 0
4 mol 134 unq 1 iso 0 dist 5.49198 9.13697 6.06606 12.0027 11.45 6.41759 9.49104 5.45341 4.56331 9.21999 numMergedOcc 0
5 mol 134 unq 2 iso 0 dist 8.7311 9.13697 12.1477 12.0027 17.6605 6.41759 13.5964 14.9038 4.77133 7.94564 numMergedOcc 0
6 mol 134 unq 3 iso 0 dist 8.7311 9.13697 12.1477 12.0027 17.6605 6.41759 9.49104 10.2702 4.56331 9.21999 numMergedOcc 0
7 mol 171 unq 0 iso 0 dist 6.21194 6.76574 4.88147 5.67061 11.2168 9.38425 13.3951 16.1764 11.8262 9.59797 numMergedOcc 0
8 mol 184 unq 0 iso 0 dist 8.95598 8.27396 4.67256 11.2463 6.65725 9.07247 15.4961 8.44389 10.6375 5.13722 numMergedOcc 0
9 mol 193 unq 0 iso 0 dist 9.37035 7.85801 8.86693 13.518 15.189 8.28942 14.4262 18.828 9.98298 9.16852 numMergedOcc 0
10 mol 205 unq 0 iso 0 dist 8.86587 8.69512 16.7363 12.1402 21.0026 6.92823 14.1395 21.4112 6.10129 9.90674 numMergedOcc 0
11 mol 222 unq 0 iso 0 dist 5.89818 8.86886 6.67077 6.45821 8.8394 7.61739 10.6063 8.99835 11.9017 9.5045 numMergedOcc 0
12 mol 222 unq 1 iso 0 dist 9.32543 8.86886 16.6736 6.45821 12.7485 7.61739 10.6063 9.98561 11.9017 9.5045 numMergedOcc 0
13 mol 274 unq 0 iso 0 dist 9.02071 7.15079 9.78219 12.746 16.8947 9.40401 15.3297 22.4012 13.3483 9.30966 numMergedOcc 0
14 mol 274 unq 1 iso 0 dist 9.02071 7.15079 9.78219 12.746 16.8947 9.40401 11.0909 16.8219 7.5856 5.38704 numMergedOcc 0
15 mol 274 unq 2 iso 0 dist 9.02071 7.15079 9.78219 12.746 16.8947 9.40401 11.8069 14.2345 5.04738 8.05503 numMergedOcc 0
16 mol 274 unq 3 iso 0 dist 9.02071 7.15079 9.78219 10.9845 11.6996 5.64169 11.0909 16.8219 7.5856 8.26695 numMergedOcc 0
17 mol 274 unq 4 iso 0 dist 9.02071 7.15079 9.78219 10.9845 11.6996 5.64169 11.8069 14.2345 5.04738 5.59151 numMergedOcc 0
18 mol 274 unq 5 iso 0 dist 9.02071 7.15079 9.78219 10.9845 11.6996 5.64169 16.1308 11.6914 12.0951 8.17922 numMergedOcc 0
