0 mol 58 unq 0 iso 0 dist 9.56737 17.0485 8.89374 12.9335 5.35073 8.63333 22.0835 12.7331 6.96494 10.6476 numMergedOcc 0
1 mol 58 unq 1 iso 0 dist 9.56737 17.0485 8.89374 12.9335 5.35073 8.63333 16.5678 7.05413 7.01363 5.92889 numMergedOcc 0
2 mol 58 unq 2 iso 0 dist 9.56737 17.0485 8.89374 17.1344 8.62958 6.46761 22.0835 12.7331 6.96494 8.74789 numMergedOcc 0
3 mol 58 unq 3 iso 0 dist 9.56737 17.0485 8.89374 17.1344 8.62958 6.46761 16.5678 7.05413 7.01363 6.61756 numMergedOcc 0
4 mol 58 unq 4 iso 0 dist 9.56737 17.0485 8.89374 23.3119 14.176 9.73139 22.0835 12.7331 6.96494 7.02095 numMergedOcc 0
5 mol 58 unq 5 iso 0 dist 9.56737 17.0485 8.89374 23.3119 14.176 9.73139 16.5678 7.05413 7.01363 8.94672 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 6.6003 5.78769 9.54144 12.2258 10.6748 8.68586 9.14856 5.68303 8.4517 5.35421 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 8.42445 10.453 8.71128 11.2415 5.59517 7.52743 15.2446 9.2907 7.36816 5.33327 numMergedOcc 0
8 mol 140 unq 0 iso 0 dist 9.93572 5.36419 7.27371 11.7961 6.43459 6.95323 7.79467 8.17877 5.63811 6.69673 numMergedOcc 0
9 mol 140 unq 1 iso 0 dist 9.93572 5.36419 7.27371 11.7961 6.43459 6.95323 11.7363 4.6872 7.49546 5.58533 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.42756 9.82776 6.93652 11.6435 5.67306 9.54444 11.288 7.57216 6.2135 6.96143 numMergedOcc 0
11 mol 155 unq 0 iso 0 dist 7.02715 5.84938 8.87452 9.70079 12.1545 9.17284 5.64806 5.77564 6.51096 6.3845 numMergedOcc 0
12 mol 155 unq 1 iso 0 dist 7.02715 5.84938 8.87452 9.83554 4.66274 9.87281 5.64806 5.77564 6.51096 5.48883 numMergedOcc 0
13 mol 155 unq 2 iso 0 dist 7.02715 9.52867 7.68368 9.83554 4.66274 8.27111 5.64806 5.77564 8.73171 5.48883 numMergedOcc 0
14 mol 156 unq 0 iso 0 dist 8.81169 8.83831 8.47155 10.3078 5.76755 9.36805 13.5937 9.30783 6.90155 7.29758 numMergedOcc 0
15 mol 156 unq 1 iso 0 dist 8.81169 8.83831 8.47155 13.9983 7.60354 7.55203 13.5937 9.30783 6.90155 4.53931 numMergedOcc 0
16 mol 156 unq 2 iso 0 dist 9.16591 4.95416 7.55203 12.7959 7.60354 8.47155 8.57453 4.53931 6.90155 9.30783 numMergedOcc 0
17 mol 156 unq 3 iso 0 dist 9.16591 4.95416 7.55203 13.6067 8.38403 9.36805 8.57453 4.53931 6.90155 7.29758 numMergedOcc 0
18 mol 175 unq 0 iso 0 dist 8.69888 14.6255 9.8589 14.9263 7.42466 7.24908 17.6319 11.0415 4.79852 5.0384 numMergedOcc 0
19 mol 175 unq 1 iso 0 dist 5.08206 11.5085 9.8589 11.7895 7.42466 7.24908 14.1664 11.0415 4.79852 5.0384 numMergedOcc 0
20 mol 224 unq 0 iso 0 dist 6.56437 10.4999 6.67585 9.2491 4.70378 6.65984 14.4755 7.98696 9.47554 7.12232 numMergedOcc 0
21 mol 224 unq 1 iso 0 dist 6.23882 12.0368 6.67585 10.6031 4.70378 6.65984 12.5784 7.98696 9.47554 7.12232 numMergedOcc 0
22 mol 224 unq 2 iso 0 dist 9.53131 4.63666 6.67585 10.7064 4.70378 6.65984 13.7859 7.98696 9.47554 7.12232 numMergedOcc 0
23 mol 224 unq 3 iso 0 dist 9.34636 5.03449 6.67585 9.79616 4.70378 6.65984 8.60781 7.98696 9.47554 7.12232 numMergedOcc 0
24 mol 224 unq 4 iso 0 dist 9.79616 5.03449 6.65984 9.34636 4.70378 6.67585 8.60781 7.12232 9.47554 7.98696 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 5.24313 5.27451 7.02475 13.7608 12.9854 8.96531 10.2991 8.82861 6.65088 4.65297 numMergedOcc 0
26 mol 238 unq 1 iso 0 dist 5.24313 11.3884 7.19008 10.2654 5.34096 7.49471 10.2991 8.82861 6.17025 12.1252 numMergedOcc 0
