0 mol 54 unq 0 iso 0 dist 6.46263 7.51978 9.65953 7.18148 10.3901 13.8618 13.9555 13.4907 7.21717 20.576 numMergedOcc 0
1 mol 91 unq 0 iso 0 dist 9.23907 7.28711 5.27581 8.47126 9.46631 9.80027 9.98867 4.86532 5.73743 13.4457 numMergedOcc 0
2 mol 176 unq 0 iso 0 dist 9.67515 4.96326 9.5735 7.02812 4.84545 5.02061 5.19351 14.5353 7.33273 11.3115 numMergedOcc 0
3 mol 182 unq 0 iso 0 dist 8.86262 6.31492 4.61382 8.43599 10.0547 11.1685 7.00671 11.0223 6.73956 15.1576 numMergedOcc 0
4 mol 182 unq 1 iso 0 dist 8.86262 6.31492 4.61382 8.43599 10.0547 11.1685 11.1247 11.0536 7.09394 17.7169 numMergedOcc 0
5 mol 182 unq 2 iso 0 dist 7.23874 6.31492 8.09718 8.43599 3.51217 11.1685 7.00671 13.087 6.73956 15.1576 numMergedOcc 0
6 mol 182 unq 3 iso 0 dist 7.23874 6.31492 8.09718 8.43599 3.51217 11.1685 11.1247 14.8739 7.09394 17.7169 numMergedOcc 0
7 mol 182 unq 4 iso 0 dist 6.06892 7.8621 11.8631 7.01577 7.7167 6.1548 9.23913 14.6335 6.73956 11.9309 numMergedOcc 0
8 mol 182 unq 5 iso 0 dist 6.06892 7.8621 11.8631 7.01577 7.7167 6.1548 5.77163 9.38111 7.09394 9.02127 numMergedOcc 0
9 mol 192 unq 0 iso 0 dist 9.44978 9.05666 4.94984 8.42665 9.80412 12.1342 5.76622 11.3948 8.77999 10.8072 numMergedOcc 0
10 mol 218 unq 0 iso 0 dist 6.43416 5.52981 6.75711 8.5458 9.83826 9.81852 5.3192 8.88206 6.1951 13.5182 numMergedOcc 0
11 mol 249 unq 0 iso 0 dist 8.84212 6.42827 12.6924 6.32658 4.76162 10.3504 5.74889 12.7606 5.48118 8.76518 numMergedOcc 0
12 mol 249 unq 1 iso 0 dist 7.10933 6.42827 8.71871 6.32658 3.89698 10.3504 5.74889 6.7282 5.48118 8.76518 numMergedOcc 0
13 mol 287 unq 0 iso 0 dist 7.26294 7.28096 11.2095 6.17759 4.13973 7.83168 12.4113 16.7719 6.89451 12.8445 numMergedOcc 0
14 mol 287 unq 1 iso 0 dist 7.26294 7.28096 11.2095 8.20391 7.1669 10.0322 12.4113 16.7719 6.89451 12.7018 numMergedOcc 0
15 mol 288 unq 0 iso 0 dist 7.26294 7.28096 11.2095 6.17759 4.13973 7.83168 12.4113 16.7719 6.89451 12.8445 numMergedOcc 0
16 mol 288 unq 1 iso 0 dist 7.26294 7.28096 11.2095 8.20391 7.1669 10.0322 12.4113 16.7719 6.89451 12.7018 numMergedOcc 0
17 mol 289 unq 0 iso 0 dist 7.26294 7.28096 11.2095 6.17759 4.13973 7.83168 12.4113 16.7719 6.89451 12.8445 numMergedOcc 0
18 mol 289 unq 1 iso 0 dist 7.26294 7.28096 11.2095 8.20391 7.1669 10.0322 12.4113 16.7719 6.89451 12.7018 numMergedOcc 0
