0 mol 44 unq 0 iso 0 dist 9.96265 7.23261 5.87283 5.12876 9.70459 8.96501 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 9.96265 7.23261 5.87283 6.85995 7.78905 9.4798 numMergedOcc 0
2 mol 44 unq 2 iso 0 dist 9.96265 7.23261 5.87283 11.3037 9.44909 13.1527 numMergedOcc 0
3 mol 44 unq 3 iso 0 dist 9.96265 6.20069 10.6223 5.12876 9.70459 10.9451 numMergedOcc 0
4 mol 44 unq 4 iso 0 dist 9.96265 6.20069 10.6223 6.85995 7.78905 11.4469 numMergedOcc 0
5 mol 44 unq 5 iso 0 dist 9.96265 6.20069 10.6223 11.3037 9.44909 13.9483 numMergedOcc 0
6 mol 44 unq 6 iso 0 dist 9.70459 8.96501 5.87283 5.12876 9.96265 7.23261 numMergedOcc 0
7 mol 44 unq 7 iso 0 dist 9.70459 8.96501 5.87283 4.19085 7.78905 9.4798 numMergedOcc 0
8 mol 44 unq 8 iso 0 dist 9.70459 8.96501 5.87283 10.2017 9.44909 13.1527 numMergedOcc 0
9 mol 44 unq 9 iso 0 dist 7.78905 9.4798 5.87283 6.85995 9.96265 7.23261 numMergedOcc 0
10 mol 44 unq 10 iso 0 dist 7.78905 9.4798 5.87283 4.19085 9.70459 8.96501 numMergedOcc 0
11 mol 44 unq 11 iso 0 dist 7.78905 9.4798 5.87283 6.10468 9.44909 13.1527 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 7.7978 8.68726 6.7583 3.60121 9.55751 11.9332 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 9.71952 8.6411 7.18506 3.94577 7.28257 8.94956 numMergedOcc 0
14 mol 76 unq 1 iso 0 dist 7.28257 8.94956 7.18506 3.94577 9.71952 8.6411 numMergedOcc 0
15 mol 76 unq 2 iso 0 dist 8.09199 8.39101 4.93067 8.17321 7.47794 6.57826 numMergedOcc 0
16 mol 76 unq 3 iso 0 dist 7.47794 6.57826 4.93067 8.17321 8.09199 8.39101 numMergedOcc 0
17 mol 88 unq 0 iso 0 dist 9.72689 6.98838 5.90098 14.8895 7.74197 9.94935 numMergedOcc 0
18 mol 88 unq 1 iso 0 dist 7.74197 5.82918 6.95868 14.8895 9.72689 16.3169 numMergedOcc 0
19 mol 115 unq 0 iso 0 dist 6.48328 5.58063 4.51489 6.56935 9.80286 10.1292 numMergedOcc 0
20 mol 117 unq 0 iso 0 dist 6.90827 9.58171 4.91401 5.70541 8.90977 13.2996 numMergedOcc 0
21 mol 185 unq 0 iso 0 dist 9.878 8.60027 8.59032 6.40496 9.21149 12.9521 numMergedOcc 0
22 mol 235 unq 0 iso 0 dist 9.11256 8.19915 4.65302 13.6805 7.08539 10.8124 numMergedOcc 0
23 mol 236 unq 0 iso 0 dist 5.66569 6.98151 6.04825 5.26871 6.11137 9.91572 numMergedOcc 0
24 mol 238 unq 0 iso 0 dist 8.59074 9.46582 13.7993 5.00891 9.94315 10.4661 numMergedOcc 0
25 mol 238 unq 1 iso 0 dist 8.59074 9.46582 13.7993 6.21773 6.2365 12.6015 numMergedOcc 0
26 mol 238 unq 2 iso 0 dist 8.59074 9.77231 13.069 5.00891 9.94315 12.9182 numMergedOcc 0
27 mol 238 unq 3 iso 0 dist 8.59074 9.77231 13.069 6.21773 6.2365 10.2583 numMergedOcc 0
