0 mol 67 unq 0 iso 0 dist 4.52009 8.57393 5.52457 7.92725 9.30836 11.5264 numMergedOcc 0
1 mol 67 unq 1 iso 0 dist 4.52009 8.57393 5.52457 7.26324 6.58279 9.0008 numMergedOcc 0
2 mol 67 unq 2 iso 0 dist 8.28902 6.04885 5.52457 10.5931 9.30836 11.5264 numMergedOcc 0
3 mol 67 unq 3 iso 0 dist 8.28902 6.04885 5.52457 10.2724 6.58279 9.0008 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 8.07051 9.01727 7.59628 5.22561 9.95103 7.09065 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 6.13194 8.68825 4.95298 9.41836 9.5002 9.07734 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 9.39818 9.87854 8.00732 8.10869 6.13508 7.26955 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 8.91758 6.41992 8.19286 10.3501 6.13508 12.8541 numMergedOcc 0
8 mol 119 unq 2 iso 0 dist 8.91758 8.15125 10.5326 10.3501 6.13508 13.2572 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 6.30762 8.78173 5.53162 6.92937 9.39811 14.1191 numMergedOcc 0
10 mol 148 unq 0 iso 0 dist 8.42082 6.3102 5.58057 6.35087 7.32163 8.28564 numMergedOcc 0
11 mol 150 unq 0 iso 0 dist 8.47493 6.25629 5.55906 6.38252 7.42372 8.39475 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 8.46837 9.89595 10.3893 11.7605 9.6281 5.81122 numMergedOcc 0
13 mol 199 unq 0 iso 0 dist 6.6037 5.64398 5.30702 5.35076 8.64654 10.3946 numMergedOcc 0
14 mol 199 unq 1 iso 0 dist 7.91016 6.62547 6.16438 9.84318 9.43695 10.3946 numMergedOcc 0
15 mol 199 unq 2 iso 0 dist 7.21813 5.64398 6.16438 5.35076 9.43695 10.3946 numMergedOcc 0
16 mol 199 unq 3 iso 0 dist 9.74632 5.64398 10.9791 5.35076 8.32753 10.3946 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 9.54076 9.69953 13.4382 5.21133 8.87054 13.7581 numMergedOcc 0
18 mol 250 unq 0 iso 0 dist 8.01457 9.01911 6.88928 6.19393 5.99119 6.44252 numMergedOcc 0
19 mol 294 unq 0 iso 0 dist 9.83824 9.54237 7.79284 5.85169 9.7659 7.36811 numMergedOcc 0
20 mol 294 unq 1 iso 0 dist 5.49473 9.54237 7.94082 5.85169 6.1268 7.36811 numMergedOcc 0
