0 mol 7 unq 0 iso 0 dist 9.8603 16.6461 9.67164 20.3971 12.2041 5.99459 16.8862 11.2662 6.12483 5.99972 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.51421 4.7739 5.99459 13.5184 12.2041 9.67164 10.1958 10.3148 5.5683 8.72114 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 9.91301 13.8883 9.01112 16.9088 10.9495 6.56356 10.4489 7.18019 4.1204 7.03958 numMergedOcc 0
3 mol 8 unq 1 iso 0 dist 9.91301 13.8883 9.01112 15.6504 6.23795 7.62333 10.4489 7.18019 4.1204 8.44009 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.40051 13.591 9.48085 8.6396 10.9391 9.49421 4.32173 6.16347 9.62058 7.45383 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 8.40051 13.591 9.48085 8.6396 10.9391 9.49421 16.0077 13.8469 5.38592 9.01548 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 8.6396 13.591 9.49421 8.40051 10.9391 9.48085 4.32173 7.45383 9.62058 6.16347 numMergedOcc 0
7 mol 25 unq 3 iso 0 dist 8.6396 13.591 9.49421 8.40051 10.9391 9.48085 15.9662 16.8925 10.2758 7.92503 numMergedOcc 0
8 mol 30 unq 0 iso 0 dist 8.609 3.65941 6.74179 9.44073 5.34368 6.07517 5.73417 8.1284 4.98558 7.12365 numMergedOcc 0
9 mol 58 unq 0 iso 0 dist 6.36193 4.99692 9.22598 4.88613 4.81926 8.96727 4.37642 5.93884 5.66912 7.68678 numMergedOcc 0
10 mol 58 unq 1 iso 0 dist 4.88613 4.99692 8.96727 6.36193 4.81926 9.22598 4.37642 7.68678 5.66912 5.93884 numMergedOcc 0
11 mol 62 unq 0 iso 0 dist 8.1599 5.46563 6.9103 14.3699 8.62608 9.69044 7.46975 4.74544 4.09232 7.56205 numMergedOcc 0
12 mol 69 unq 0 iso 0 dist 5.47319 4.69809 5.99857 9.8809 8.99811 6.9362 7.30649 10.8967 5.1678 9.97775 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 6.18763 5.92411 8.95212 8.44385 10.9871 6.99446 4.01593 9.87889 5.37917 9.11344 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 6.18763 5.92411 8.95212 5.63005 9.93257 7.64052 4.01593 9.87889 5.37917 6.52773 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 6.18763 5.92411 8.95212 5.63005 9.93257 7.64052 13.1254 18.192 15.7711 9.23858 numMergedOcc 0
16 mol 119 unq 3 iso 0 dist 8.44385 5.92411 6.99446 6.18763 10.9871 8.95212 6.49348 13.7362 12.3661 8.00003 numMergedOcc 0
17 mol 119 unq 4 iso 0 dist 8.44385 5.92411 6.99446 5.63005 4.85907 7.64052 4.01593 9.11344 5.37917 6.52773 numMergedOcc 0
18 mol 119 unq 5 iso 0 dist 8.44385 5.92411 6.99446 5.63005 4.85907 7.64052 13.1254 12.7677 15.7711 9.23858 numMergedOcc 0
19 mol 119 unq 6 iso 0 dist 5.63005 5.92411 7.64052 6.18763 9.93257 8.95212 6.49348 9.77873 12.3661 8.00003 numMergedOcc 0
20 mol 119 unq 7 iso 0 dist 5.63005 5.92411 7.64052 8.44385 4.85907 6.99446 4.01593 6.52773 5.37917 9.11344 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 9.58911 17.3349 8.59874 9.86845 6.01247 9.76212 12.0718 6.22122 6.39406 6.2479 numMergedOcc 0
22 mol 181 unq 1 iso 0 dist 7.41378 4.76079 5.05973 10.8641 11.5866 9.01624 11.3693 14.8638 11.9796 5.94469 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.96988 3.6848 8.90571 9.44405 7.09479 6.61112 5.18732 10.6519 4.03697 8.73217 numMergedOcc 0
24 mol 259 unq 0 iso 0 dist 8.06771 9.0675 9.46361 11.1503 6.96053 6.95511 5.61261 7.98231 4.10176 7.08526 numMergedOcc 0
25 mol 259 unq 1 iso 0 dist 9.54857 5.13138 6.95511 14.0139 6.96053 9.46361 8.74892 7.08526 4.10176 7.98231 numMergedOcc 0
26 mol 259 unq 2 iso 0 dist 6.42725 6.09466 6.9899 9.73341 9.98105 5.85442 10.444 10.4552 4.47425 7.08526 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 9.6898 18.4042 9.9182 19.0288 10.3106 7.30758 16.8807 10.0775 4.09485 8.87028 numMergedOcc 0
28 mol 292 unq 1 iso 0 dist 5.75596 6.65781 9.9182 10.9895 10.3106 7.30758 7.60885 10.0775 4.09485 8.87028 numMergedOcc 0
29 mol 292 unq 2 iso 0 dist 8.37867 6.65781 9.10788 5.75596 12.1693 9.9182 8.07013 16.0086 13.4805 7.83341 numMergedOcc 0
30 mol 292 unq 3 iso 0 dist 8.37867 6.65781 9.10788 10.9895 12.6861 7.30758 7.60885 12.7202 4.09485 8.87028 numMergedOcc 0
31 mol 292 unq 4 iso 0 dist 8.37867 4.00064 8.85064 5.75596 12.1693 8.9221 8.07013 16.0086 8.14131 7.83341 numMergedOcc 0
