0 mol 48 unq 0 iso 0 dist 9.14072 9.90363 5.06188 12.884 9.40291 9.57893 11.6966 4.6365 8.89758 13.4419 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 9.14072 9.90363 5.06188 14.5015 7.94814 7.88988 11.6966 4.6365 8.89758 11.4393 numMergedOcc 0
2 mol 48 unq 2 iso 0 dist 9.14072 9.90363 5.06188 16.2483 9.55632 8.00934 11.6966 4.6365 8.89758 12.9043 numMergedOcc 0
3 mol 69 unq 0 iso 0 dist 7.00234 5.57378 7.03224 8.04676 9.87102 4.19648 12.0624 5.59952 9.68285 11.6826 numMergedOcc 0
4 mol 69 unq 1 iso 0 dist 7.00234 5.57378 7.03224 8.04676 9.87102 4.19648 8.91902 4.33228 8.31114 9.28702 numMergedOcc 0
5 mol 69 unq 2 iso 0 dist 7.30652 10.3741 7.03224 14.2223 9.87102 4.19648 11.8398 5.59952 9.68285 11.6826 numMergedOcc 0
6 mol 69 unq 3 iso 0 dist 7.30652 10.3741 7.03224 14.2223 9.87102 4.19648 11.3547 4.33228 8.31114 9.28702 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 8.92491 14.685 7.48127 13.3471 9.50939 11.6853 18.1208 10.6009 4.83274 10.985 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 7.41861 4.00834 7.48127 9.68005 9.50939 11.6853 6.4551 10.6009 4.83274 10.985 numMergedOcc 0
9 mol 114 unq 0 iso 0 dist 8.79677 11.5575 6.54778 6.83136 5.87382 5.72803 13.0299 5.0333 5.97879 9.20432 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 6.9268 15.4372 8.76088 8.4707 8.98028 13.5318 14.6914 8.99025 8.96061 17.6417 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 8.19166 14.3705 8.76088 6.42838 8.98028 13.5318 16.6225 8.99025 8.96061 17.6417 numMergedOcc 0
12 mol 159 unq 0 iso 0 dist 7.52779 10.242 9.9368 10.3725 8.61788 13.1056 4.91784 7.18851 8.55431 13.3498 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 6.28957 5.44954 7.20545 3.92405 7.20131 6.39898 8.43038 4.70374 8.58946 6.83528 numMergedOcc 0
14 mol 167 unq 1 iso 0 dist 7.34285 9.15105 7.20545 6.18329 7.20131 6.39898 9.87966 4.70374 8.58946 6.83528 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 6.36789 12.6035 6.72718 12.2056 8.92335 8.09407 10.799 5.25279 6.99623 12.2312 numMergedOcc 0
16 mol 214 unq 0 iso 0 dist 7.08083 6.46773 4.36421 4.24746 9.96715 9.91172 13.9215 7.98893 7.77535 16.974 numMergedOcc 0
17 mol 230 unq 0 iso 0 dist 5.19913 6.28086 9.24729 6.2863 9.62914 4.45276 11.3536 12.2372 8.33847 12.7396 numMergedOcc 0
18 mol 230 unq 1 iso 0 dist 5.19913 6.28086 9.24729 12.1033 9.73038 15.7177 11.3536 12.2372 8.33847 21.2191 numMergedOcc 0
