0 mol 11 unq 0 iso 0 dist 4.61088 5.96346 6.86684 8.05213 12.2274 8.73067 6.84216 9.68636 6.76736 4.79838 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 7.20519 7.75618 4.96411 5.5841 9.80108 7.02548 11.0464 10.3996 6.08459 7.40236 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 8.4674 8.40416 9.74255 6.74265 9.58539 7.02548 11.6815 14.5591 6.08459 7.40236 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 8.4674 6.41575 4.64838 5.14627 6.20943 5.82366 10.1278 4.44441 5.31883 6.38574 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 4.54938 7.75618 9.74255 5.5841 9.58539 7.02548 11.0464 14.5591 6.08459 7.40236 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 4.54938 6.41575 4.97119 5.14627 7.82528 5.82366 10.1278 10.0411 5.31883 6.38574 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 7.82074 6.41575 6.01808 5.14627 10.2708 5.82366 10.1278 10.9814 5.31883 6.38574 numMergedOcc 0
7 mol 19 unq 6 iso 0 dist 4.51865 8.40416 7.08342 6.74265 8.58657 7.02548 11.6815 12.323 6.08459 7.40236 numMergedOcc 0
8 mol 19 unq 7 iso 0 dist 4.51865 6.41423 4.64838 4.69858 6.20943 5.82366 7.7312 4.44441 5.31883 6.38574 numMergedOcc 0
9 mol 19 unq 8 iso 0 dist 6.864 7.75618 7.08342 5.5841 8.58657 7.02548 11.0464 12.323 6.08459 7.40236 numMergedOcc 0
10 mol 19 unq 9 iso 0 dist 6.864 6.41423 4.97119 4.69858 7.82528 5.82366 7.7312 10.0411 5.31883 6.38574 numMergedOcc 0
11 mol 25 unq 0 iso 0 dist 5.04899 9.01548 13.9331 4.70708 9.43699 6.63839 11.26 15.7345 4.68797 9.75219 numMergedOcc 0
12 mol 58 unq 0 iso 0 dist 6.86465 8.80614 10.2049 13.9007 17.4911 7.6481 19.3557 20.2808 10.7828 8.55712 numMergedOcc 0
13 mol 58 unq 1 iso 0 dist 6.62496 8.80614 9.95364 13.9007 16.3613 7.6481 19.3557 19.2886 10.7828 8.55712 numMergedOcc 0
14 mol 58 unq 2 iso 0 dist 6.35756 8.80614 5.49591 13.9007 12.7237 7.6481 19.3557 15.321 10.7828 8.55712 numMergedOcc 0
15 mol 73 unq 0 iso 0 dist 9.96396 9.24757 5.11416 7.41074 8.70133 7.10439 11.3218 4.73407 7.98468 7.78587 numMergedOcc 0
16 mol 73 unq 1 iso 0 dist 6.19304 9.24757 6.56633 7.41074 4.65521 7.10439 11.3218 5.17781 7.98468 7.78587 numMergedOcc 0
17 mol 73 unq 2 iso 0 dist 8.70481 9.24757 15.3808 7.41074 15.9587 7.10439 11.3218 17.5556 7.98468 7.78587 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 7.97049 9.82915 9.29301 15.8792 13.9302 6.05495 13.3547 14.432 5.22259 5.61151 numMergedOcc 0
19 mol 85 unq 1 iso 0 dist 7.97049 9.82915 9.29301 15.8792 13.9302 6.05495 15.6221 16.9381 7.66499 6.54289 numMergedOcc 0
20 mol 85 unq 2 iso 0 dist 7.47541 9.82915 13.5116 15.8792 18.8901 6.05495 13.3547 18.1994 5.22259 5.61151 numMergedOcc 0
21 mol 85 unq 3 iso 0 dist 7.47541 9.82915 13.5116 15.8792 18.8901 6.05495 15.6221 20.4792 7.66499 6.54289 numMergedOcc 0
22 mol 92 unq 0 iso 0 dist 7.4729 6.95572 9.50382 9.32974 10.6071 6.72712 9.68271 12.3859 3.87825 5.32369 numMergedOcc 0
23 mol 92 unq 1 iso 0 dist 7.4729 6.95572 9.50382 6.99832 5.81965 5.39745 9.68271 12.3859 3.87825 7.03417 numMergedOcc 0
24 mol 92 unq 2 iso 0 dist 6.82344 6.95572 7.56363 9.32974 13.3102 6.72712 9.68271 11.3622 3.87825 5.32369 numMergedOcc 0
25 mol 92 unq 3 iso 0 dist 6.82344 6.95572 7.56363 6.99832 9.70512 5.39745 9.68271 11.3622 3.87825 7.03417 numMergedOcc 0
26 mol 114 unq 0 iso 0 dist 7.5732 6.84011 7.436 8.88748 11.5084 5.79343 9.93438 6.25685 5.99273 7.93956 numMergedOcc 0
27 mol 181 unq 0 iso 0 dist 9.1374 6.2479 6.6251 4.77278 6.71012 7.13252 11.8368 11.618 13.4378 7.61421 numMergedOcc 0
28 mol 181 unq 1 iso 0 dist 8.03334 6.2479 7.81713 4.77278 12.2058 7.13252 11.8368 19.3579 13.4378 7.61421 numMergedOcc 0
29 mol 181 unq 2 iso 0 dist 5.98885 7.99195 6.6251 9.14057 6.71012 7.13252 15.9184 11.618 13.4378 7.61421 numMergedOcc 0
30 mol 181 unq 3 iso 0 dist 9.09537 7.99195 10.09 9.14057 15.4777 7.13252 15.9184 21.3999 13.4378 7.61421 numMergedOcc 0
31 mol 181 unq 4 iso 0 dist 7.81386 5.94469 7.77758 6.7991 4.93785 7.05653 8.29467 6.13927 3.63671 6.91878 numMergedOcc 0
32 mol 181 unq 5 iso 0 dist 7.63312 5.94469 12.5387 6.7991 10.1232 7.05653 8.29467 13.2274 3.63671 6.91878 numMergedOcc 0
33 mol 234 unq 0 iso 0 dist 8.41436 7.32499 10.7902 5.9221 13.651 7.43663 9.7221 15.0277 6.67757 5.69634 numMergedOcc 0
34 mol 234 unq 1 iso 0 dist 8.41436 7.32499 10.7902 13.2297 18.6592 7.94068 9.7221 15.0277 6.67757 6.81195 numMergedOcc 0
35 mol 234 unq 2 iso 0 dist 8.92474 7.32499 4.4288 5.9221 10.521 7.43663 9.7221 8.83877 6.67757 5.69634 numMergedOcc 0
36 mol 234 unq 3 iso 0 dist 8.92474 7.32499 4.4288 13.2297 11.4702 7.94068 9.7221 8.83877 6.67757 6.81195 numMergedOcc 0
37 mol 235 unq 0 iso 0 dist 5.4638 9.55668 7.60081 4.65302 8.21247 7.95766 8.08965 4.75609 6.82702 9.11149 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 5.72887 9.24557 14.7883 11.0401 14.1514 8.90076 9.76893 9.79922 13.8952 8.71877 numMergedOcc 0
39 mol 259 unq 0 iso 0 dist 8.13497 7.98231 8.41846 11.6195 10.9591 8.71497 12.9913 6.1708 9.75001 9.28024 numMergedOcc 0
40 mol 259 unq 1 iso 0 dist 7.88519 7.98231 8.81835 11.6195 7.48005 8.71497 12.9913 6.65799 9.75001 9.28024 numMergedOcc 0
41 mol 259 unq 2 iso 0 dist 7.46176 7.08526 8.81835 5.79468 7.48005 8.71497 11.9533 6.65799 9.75001 9.28024 numMergedOcc 0
42 mol 264 unq 0 iso 0 dist 6.24356 5.93616 7.52936 9.67998 9.5784 7.34094 15.2551 11.147 13.0664 8.56867 numMergedOcc 0
43 mol 264 unq 1 iso 0 dist 6.24356 5.93616 7.52936 9.67998 9.5784 7.34094 13.3874 10.0018 10.4666 6.29872 numMergedOcc 0
