0 mol 48 unq 0 iso 0 dist 6.66351 9.26101 8.09058 4.88307 7.15542 5.59994 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 6.66351 9.26101 8.09058 10.6231 8.89047 7.78417 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 6.66351 9.26101 8.09058 9.23151 8.89003 5.47187 numMergedOcc 0
3 mol 48 unq 3 iso 0 dist 9.56608 10.0513 8.09058 6.86738 7.15542 5.59994 numMergedOcc 0
4 mol 48 unq 4 iso 0 dist 9.56608 10.0513 8.09058 3.61974 8.89047 7.78417 numMergedOcc 0
5 mol 48 unq 5 iso 0 dist 9.56608 10.0513 8.09058 5.0726 8.89003 5.47187 numMergedOcc 0
6 mol 48 unq 6 iso 0 dist 8.66127 13.598 8.09058 10.1375 7.15542 5.59994 numMergedOcc 0
7 mol 48 unq 7 iso 0 dist 8.66127 13.598 8.09058 8.32251 8.89047 7.78417 numMergedOcc 0
8 mol 48 unq 8 iso 0 dist 8.66127 13.598 8.09058 10.2264 8.89003 5.47187 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 9.51073 8.14115 7.13087 16.4473 8.62079 15.7104 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 7.995 3.99978 7.13087 15.7074 8.62079 15.7104 numMergedOcc 0
11 mol 92 unq 0 iso 0 dist 7.66368 8.22938 7.96555 5.86926 4.17838 4.07336 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 9.46144 7.04769 8.71128 3.4175 9.93438 5.80637 numMergedOcc 0
13 mol 117 unq 0 iso 0 dist 8.34279 10.7127 7.20326 12.9132 7.78789 6.69019 numMergedOcc 0
14 mol 117 unq 1 iso 0 dist 8.34279 10.7127 7.20326 7.61232 7.42146 4.18875 numMergedOcc 0
15 mol 117 unq 2 iso 0 dist 5.06108 7.99558 7.20326 7.49865 7.78789 6.69019 numMergedOcc 0
16 mol 117 unq 3 iso 0 dist 5.06108 7.99558 7.20326 7.39686 7.42146 4.18875 numMergedOcc 0
17 mol 117 unq 4 iso 0 dist 8.51518 6.04297 7.20326 8.54025 7.78789 6.69019 numMergedOcc 0
18 mol 117 unq 5 iso 0 dist 8.51518 6.04297 7.20326 4.66313 7.42146 4.18875 numMergedOcc 0
19 mol 131 unq 0 iso 0 dist 9.82508 5.2907 6.91348 10.705 8.80895 6.25029 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 9.82508 13.4046 9.51418 10.705 8.80895 13.4297 numMergedOcc 0
21 mol 132 unq 0 iso 0 dist 7.41216 4.18391 6.03703 5.27265 5.77186 5.82383 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 9.91541 13.2417 9.52634 6.78721 9.19156 16.559 numMergedOcc 0
23 mol 213 unq 0 iso 0 dist 8.44476 13.3708 6.0965 3.83534 8.82761 14.229 numMergedOcc 0
24 mol 213 unq 1 iso 0 dist 8.44476 13.4229 9.59129 3.83534 8.82761 14.9475 numMergedOcc 0
25 mol 240 unq 0 iso 0 dist 7.46026 4.21987 6.15305 5.32512 5.77749 6.06674 numMergedOcc 0
26 mol 240 unq 1 iso 0 dist 7.46026 9.78098 8.0951 5.32512 5.77749 5.24608 numMergedOcc 0
