0 mol 7 unq 0 iso 0 dist 6.22892 5.13744 6.36911 12.0214 10.2446 7.45262 14.6751 10.5461 10.515 5.72491 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.22892 5.13744 6.36911 12.0214 10.2446 7.45262 7.15287 8.41585 6.06176 7.88043 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 6.22892 5.13744 6.36911 11.7931 12.3097 6.96586 7.15287 8.41585 6.06176 8.80762 numMergedOcc 0
3 mol 8 unq 0 iso 0 dist 6.92865 6.88402 8.99126 9.95165 5.02333 8.94096 15.9496 9.88063 13.7792 6.82379 numMergedOcc 0
4 mol 8 unq 1 iso 0 dist 6.92865 6.88402 8.99126 9.95165 5.02333 8.94096 14.678 11.0287 10.6893 6.24978 numMergedOcc 0
5 mol 8 unq 2 iso 0 dist 6.92865 6.88402 8.99126 9.95165 5.02333 8.94096 17.3707 14.5532 13.8882 9.66439 numMergedOcc 0
6 mol 8 unq 3 iso 0 dist 6.92865 6.88402 8.99126 9.95165 5.02333 8.94096 12.915 10.5239 12.8924 7.3915 numMergedOcc 0
7 mol 9 unq 0 iso 0 dist 9.47321 8.48796 8.47421 12.2499 3.98483 8.04924 5.91584 8.57077 5.60154 9.78006 numMergedOcc 0
8 mol 24 unq 0 iso 0 dist 6.85331 8.91397 9.75144 4.61828 6.00575 8.62284 9.20254 6.86014 5.39241 6.60423 numMergedOcc 0
9 mol 24 unq 1 iso 0 dist 6.85331 8.91397 9.75144 4.61828 6.00575 8.62284 8.8926 11.573 4.51549 7.83786 numMergedOcc 0
10 mol 115 unq 0 iso 0 dist 9.56867 7.97477 6.99777 8.99731 7.3094 9.9928 7.64822 7.88312 11.7126 5.72642 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 6.85677 11.7378 8.43904 16.9514 10.326 9.87025 14.536 10.1813 6.35763 7.99857 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 6.85677 11.7378 8.43904 16.9514 10.326 9.87025 14.2612 9.72413 10.0197 8.56342 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 9.05626 5.53247 6.89257 4.85559 5.97111 6.42785 7.09664 8.70949 8.84655 8.33077 numMergedOcc 0
14 mol 130 unq 1 iso 0 dist 9.05626 5.53247 6.89257 11.415 6.97875 6.82089 14.7008 15.2264 10.3933 9.28592 numMergedOcc 0
15 mol 130 unq 2 iso 0 dist 9.05626 8.63186 8.74308 11.415 6.97875 5.38314 14.7008 15.2264 9.16988 9.28592 numMergedOcc 0
16 mol 143 unq 0 iso 0 dist 9.18691 9.53126 7.7056 17.3093 11.488 8.1582 14.4084 12.7524 6.01455 7.63338 numMergedOcc 0
17 mol 143 unq 1 iso 0 dist 9.18691 9.53126 7.7056 15.0047 9.53139 7.88655 14.4084 12.7524 6.01455 7.25673 numMergedOcc 0
18 mol 143 unq 2 iso 0 dist 8.90592 4.85796 7.7056 11.9348 11.488 8.1582 10.1013 12.7524 6.01455 7.63338 numMergedOcc 0
19 mol 143 unq 3 iso 0 dist 8.90592 4.85796 7.7056 12.6044 9.53139 7.88655 10.1013 12.7524 6.01455 7.25673 numMergedOcc 0
20 mol 214 unq 0 iso 0 dist 8.47248 15.9026 8.60247 13.2913 6.214 5.10114 17.404 11.9355 6.67959 6.38157 numMergedOcc 0
21 mol 218 unq 0 iso 0 dist 9.88212 13.5954 7.18041 15.2607 5.7776 6.86795 17.8812 10.3145 6.05563 6.29367 numMergedOcc 0
22 mol 218 unq 1 iso 0 dist 9.88212 13.5954 7.18041 15.2607 5.7776 6.86795 19.2371 10.9501 9.68444 5.76954 numMergedOcc 0
23 mol 218 unq 2 iso 0 dist 9.88212 13.5954 7.18041 15.2607 5.7776 6.86795 23.4753 14.7187 11.4148 9.20961 numMergedOcc 0
24 mol 218 unq 3 iso 0 dist 9.88212 13.5954 7.18041 13.5148 5.282 6.23898 15.9421 11.7007 7.35842 8.0751 numMergedOcc 0
25 mol 218 unq 4 iso 0 dist 9.88212 12.7227 7.17547 19.2138 10.3246 9.67381 19.2371 10.9501 7.47048 8.06216 numMergedOcc 0
26 mol 218 unq 5 iso 0 dist 9.88212 12.7227 7.17547 15.2607 5.7776 6.61099 17.8812 10.3145 8.36122 6.29367 numMergedOcc 0
27 mol 218 unq 6 iso 0 dist 9.88212 12.7227 7.17547 15.2607 5.7776 6.61099 19.2371 10.9501 7.47048 5.76954 numMergedOcc 0
28 mol 218 unq 7 iso 0 dist 9.88212 12.7227 7.17547 15.2607 5.7776 6.61099 23.4753 14.7187 12.7963 9.20961 numMergedOcc 0
29 mol 272 unq 0 iso 0 dist 6.62923 10.3424 6.16449 7.11691 4.86504 7.55161 11.9042 9.97651 4.72202 9.64269 numMergedOcc 0
30 mol 272 unq 1 iso 0 dist 6.62923 10.3424 6.16449 7.11691 4.86504 7.55161 9.87214 10.1698 8.5751 6.88809 numMergedOcc 0
31 mol 272 unq 2 iso 0 dist 6.62923 10.3424 6.16449 7.11691 4.86504 7.55161 5.27123 8.46116 8.52877 8.46061 numMergedOcc 0
