0 mol 95 unq 0 iso 0 dist 9.88504 4.12027 9.01083 4.3433 7.2658 5.53837 10.446 12.3193 8.54906 12.848 numMergedOcc 0
1 mol 127 unq 0 iso 0 dist 8.09965 11.3174 9.30299 8.45411 8.14887 7.30196 9.78409 9.75166 8.40046 12.4824 numMergedOcc 0
2 mol 129 unq 0 iso 0 dist 7.00798 5.57978 8.54584 6.05033 8.53613 4.61027 10.7832 11.5533 6.29026 10.5241 numMergedOcc 0
3 mol 133 unq 0 iso 0 dist 6.29975 4.90674 6.5107 5.78974 9.52634 9.56949 9.71281 8.00493 8.84018 15.1254 numMergedOcc 0
4 mol 133 unq 1 iso 0 dist 8.29673 9.35671 8.22656 5.78974 7.24514 6.65743 15.9373 15.4455 9.4473 15.6584 numMergedOcc 0
5 mol 152 unq 0 iso 0 dist 9.0847 14.8573 8.56324 8.41711 6.70283 7.65448 21.5487 13.2491 8.89982 14.5119 numMergedOcc 0
6 mol 152 unq 1 iso 0 dist 9.0847 14.8573 8.56324 4.82496 7.16148 10.6875 21.5487 13.2491 8.89982 18.3598 numMergedOcc 0
7 mol 175 unq 0 iso 0 dist 7.94593 13.2723 9.0018 8.63795 7.652 7.42466 17.9079 11.5099 8.69888 14.9263 numMergedOcc 0
8 mol 175 unq 1 iso 0 dist 7.94593 13.2723 9.0018 8.63795 7.652 7.42466 17.938 12.1783 5.08206 11.7895 numMergedOcc 0
9 mol 224 unq 0 iso 0 dist 8.47457 8.1404 6.60589 5.15333 6.65832 6.77699 15.6817 9.36962 9.79616 14.828 numMergedOcc 0
10 mol 224 unq 1 iso 0 dist 8.47457 8.1404 6.60589 15.1783 9.16166 8.49799 15.6817 9.36962 9.79616 10.0081 numMergedOcc 0
11 mol 224 unq 2 iso 0 dist 8.47457 15.1783 9.16166 5.15333 6.65832 11.328 15.3716 7.18448 9.29703 13.5897 numMergedOcc 0
12 mol 224 unq 3 iso 0 dist 8.47457 15.1783 9.16166 8.1404 6.60589 8.49799 15.3716 7.18448 9.29703 11.1052 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 6.15754 12.4455 6.56247 11.8245 8.34494 6.29886 10.3522 4.74041 5.89084 10.6962 numMergedOcc 0
14 mol 234 unq 1 iso 0 dist 6.15754 12.4455 6.56247 14.0876 9.36357 7.82322 10.3522 4.74041 5.89084 8.47009 numMergedOcc 0
15 mol 234 unq 2 iso 0 dist 6.15754 14.0876 9.36357 11.8245 8.34494 12.1694 10.3522 4.74041 8.47009 10.6962 numMergedOcc 0
16 mol 234 unq 3 iso 0 dist 6.15754 14.0876 9.36357 12.4455 6.56247 7.82322 10.3522 4.74041 8.47009 5.89084 numMergedOcc 0
17 mol 234 unq 4 iso 0 dist 6.6281 10.0624 6.56247 6.65785 8.34494 6.29886 11.0631 4.74041 5.89084 10.6962 numMergedOcc 0
18 mol 234 unq 5 iso 0 dist 6.6281 10.0624 6.56247 13.9869 9.36357 7.82322 11.0631 4.74041 5.89084 8.47009 numMergedOcc 0
19 mol 234 unq 6 iso 0 dist 6.6281 13.9869 9.36357 6.65785 8.34494 12.1694 11.0631 4.74041 8.47009 10.6962 numMergedOcc 0
20 mol 234 unq 7 iso 0 dist 6.6281 13.9869 9.36357 10.0624 6.56247 7.82322 11.0631 4.74041 8.47009 5.89084 numMergedOcc 0
21 mol 234 unq 8 iso 0 dist 8.9413 12.4455 9.45496 14.0876 6.7625 7.82322 10.3522 6.16697 5.89084 8.47009 numMergedOcc 0
22 mol 234 unq 9 iso 0 dist 8.9413 14.0876 6.7625 12.4455 9.45496 7.82322 10.3522 6.16697 8.47009 5.89084 numMergedOcc 0
23 mol 234 unq 10 iso 0 dist 4.91961 11.5103 9.45496 4.98993 6.7625 7.82322 9.5831 6.16697 5.89084 8.47009 numMergedOcc 0
24 mol 234 unq 11 iso 0 dist 4.91961 4.98993 6.7625 11.5103 9.45496 7.82322 9.5831 6.16697 8.47009 5.89084 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 5.99187 5.87189 7.31233 5.74685 6.22714 5.34096 9.67278 12.1448 5.24313 10.2654 numMergedOcc 0
26 mol 259 unq 0 iso 0 dist 6.20344 10.3156 7.46176 5.56656 7.88519 6.96053 18.0859 14.8465 7.93997 13.8509 numMergedOcc 0
27 mol 259 unq 1 iso 0 dist 6.20344 10.3156 7.46176 6.08432 7.84554 7.64658 18.0859 14.8465 7.93997 14.9816 numMergedOcc 0
28 mol 259 unq 2 iso 0 dist 6.20344 10.3156 7.46176 9.55719 9.18903 10.5239 18.0859 14.8465 7.93997 17.3348 numMergedOcc 0
