0 mol 11 unq 0 iso 0 dist 9.53002 10.9183 8.73067 10.7048 4.79838 6.76736 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 9.80108 9.32205 8.19695 10.3996 7.40236 3.73148 numMergedOcc 0
2 mol 19 unq 1 iso 0 dist 9.80108 4.96411 7.02548 10.3996 7.40236 6.08459 numMergedOcc 0
3 mol 19 unq 2 iso 0 dist 6.00439 4.42145 9.85134 4.23427 6.38574 6.59113 numMergedOcc 0
4 mol 19 unq 3 iso 0 dist 6.00439 6.42867 5.82366 4.23427 6.38574 5.31883 numMergedOcc 0
5 mol 19 unq 4 iso 0 dist 6.20943 10.943 9.85134 4.44441 6.38574 6.59113 numMergedOcc 0
6 mol 19 unq 5 iso 0 dist 6.20943 4.64838 5.82366 4.44441 6.38574 5.31883 numMergedOcc 0
7 mol 19 unq 6 iso 0 dist 7.82528 15.119 9.85134 10.0411 6.38574 6.59113 numMergedOcc 0
8 mol 19 unq 7 iso 0 dist 7.82528 4.97119 5.82366 10.0411 6.38574 5.31883 numMergedOcc 0
9 mol 19 unq 8 iso 0 dist 8.58657 13.0631 8.19695 12.323 7.40236 3.73148 numMergedOcc 0
10 mol 19 unq 9 iso 0 dist 8.58657 7.08342 7.02548 12.323 7.40236 6.08459 numMergedOcc 0
11 mol 58 unq 0 iso 0 dist 8.81638 9.62267 7.6481 5.48059 8.55712 10.7828 numMergedOcc 0
12 mol 59 unq 0 iso 0 dist 6.23899 11.1914 9.43355 11.6713 7.92479 3.68327 numMergedOcc 0
13 mol 59 unq 1 iso 0 dist 6.23899 11.1914 9.43355 3.88148 7.86646 9.13939 numMergedOcc 0
14 mol 59 unq 2 iso 0 dist 6.23899 6.435 7.9327 11.6713 7.92479 15.3578 numMergedOcc 0
15 mol 59 unq 3 iso 0 dist 6.23899 6.435 7.9327 3.88148 7.86646 10.3023 numMergedOcc 0
16 mol 73 unq 0 iso 0 dist 8.70133 5.11416 7.10439 4.73407 7.78587 7.98468 numMergedOcc 0
17 mol 73 unq 1 iso 0 dist 5.64598 8.44406 7.10439 3.85805 7.78587 7.98468 numMergedOcc 0
18 mol 73 unq 2 iso 0 dist 4.65521 6.56633 7.10439 5.17781 7.78587 7.98468 numMergedOcc 0
19 mol 79 unq 0 iso 0 dist 7.87814 6.54837 5.9249 8.95695 5.82384 4.31939 numMergedOcc 0
20 mol 90 unq 0 iso 0 dist 8.39016 9.60325 9.56752 4.79453 6.18681 5.57394 numMergedOcc 0
21 mol 90 unq 1 iso 0 dist 8.39016 9.60325 9.56752 7.5298 9.33288 3.54647 numMergedOcc 0
22 mol 90 unq 2 iso 0 dist 6.99355 7.25602 9.56752 6.34112 6.18681 5.57394 numMergedOcc 0
23 mol 90 unq 3 iso 0 dist 6.99355 7.25602 9.56752 4.87139 9.33288 3.54647 numMergedOcc 0
24 mol 92 unq 0 iso 0 dist 5.81965 8.55834 7.1539 12.3859 7.03417 9.04084 numMergedOcc 0
25 mol 92 unq 1 iso 0 dist 5.81965 9.50382 5.39745 12.3859 7.03417 3.87825 numMergedOcc 0
26 mol 92 unq 2 iso 0 dist 7.06013 8.51055 7.1539 13.4866 7.03417 9.04084 numMergedOcc 0
27 mol 92 unq 3 iso 0 dist 7.06013 11.3858 5.39745 13.4866 7.03417 3.87825 numMergedOcc 0
28 mol 92 unq 4 iso 0 dist 9.70512 7.76866 7.1539 11.3622 7.03417 9.04084 numMergedOcc 0
29 mol 92 unq 5 iso 0 dist 9.70512 7.56363 5.39745 11.3622 7.03417 3.87825 numMergedOcc 0
30 mol 113 unq 0 iso 0 dist 6.81812 9.76608 7.33541 7.84907 5.45882 11.746 numMergedOcc 0
31 mol 113 unq 1 iso 0 dist 6.81812 9.76608 7.33541 4.11536 4.57487 9.9322 numMergedOcc 0
32 mol 141 unq 0 iso 0 dist 6.93652 7.42649 5.26989 6.75624 9.75587 10.5099 numMergedOcc 0
33 mol 141 unq 1 iso 0 dist 6.93652 10.6531 7.76442 6.75624 9.75587 9.18464 numMergedOcc 0
34 mol 141 unq 2 iso 0 dist 9.54444 8.39549 5.26989 3.80599 9.75587 10.5099 numMergedOcc 0
35 mol 141 unq 3 iso 0 dist 9.54444 8.43221 7.76442 3.80599 9.75587 9.18464 numMergedOcc 0
36 mol 156 unq 0 iso 0 dist 7.36119 5.81563 6.05323 3.79489 8.22067 5.64188 numMergedOcc 0
37 mol 181 unq 0 iso 0 dist 6.71012 6.6251 7.13252 11.618 7.61421 13.4378 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 4.93785 7.77758 7.05653 6.13927 6.91878 3.63671 numMergedOcc 0
39 mol 232 unq 0 iso 0 dist 7.07392 6.2188 7.10413 4.14873 8.49913 9.85068 numMergedOcc 0
40 mol 232 unq 1 iso 0 dist 9.62952 6.09015 7.10413 6.71567 8.49913 9.85068 numMergedOcc 0
41 mol 234 unq 0 iso 0 dist 9.5707 10.0059 7.43663 12.7879 5.69634 6.67757 numMergedOcc 0
42 mol 234 unq 1 iso 0 dist 9.39181 5.08515 7.94068 11.1346 6.81195 6.67757 numMergedOcc 0
43 mol 234 unq 2 iso 0 dist 9.39181 12.6661 7.22019 11.1346 6.81195 3.64991 numMergedOcc 0
44 mol 235 unq 0 iso 0 dist 8.21247 7.60081 7.95766 4.75609 9.11149 6.82702 numMergedOcc 0
45 mol 238 unq 0 iso 0 dist 8.14172 12.2874 8.90076 10.1977 8.71877 13.8952 numMergedOcc 0
46 mol 238 unq 1 iso 0 dist 8.14172 7.11984 6.62002 10.1977 8.71877 12.856 numMergedOcc 0
47 mol 238 unq 2 iso 0 dist 6.77463 10.4017 8.90076 5.7648 8.71877 13.8952 numMergedOcc 0
48 mol 238 unq 3 iso 0 dist 6.77463 7.95232 6.62002 5.7648 8.71877 12.856 numMergedOcc 0
49 mol 256 unq 0 iso 0 dist 5.24676 5.28793 7.48269 6.73995 5.85613 5.59732 numMergedOcc 0
50 mol 256 unq 1 iso 0 dist 5.24676 4.99672 6.71249 6.73995 5.85613 3.96807 numMergedOcc 0
51 mol 256 unq 2 iso 0 dist 5.24676 7.7384 9.18903 6.73995 5.85613 11.141 numMergedOcc 0
52 mol 256 unq 3 iso 0 dist 8.09363 10.134 7.48269 4.6374 5.85613 5.59732 numMergedOcc 0
53 mol 256 unq 4 iso 0 dist 8.09363 5.94495 6.71249 4.6374 5.85613 3.96807 numMergedOcc 0
54 mol 256 unq 5 iso 0 dist 8.09363 11.0837 9.18903 4.6374 5.85613 11.141 numMergedOcc 0
55 mol 259 unq 0 iso 0 dist 7.48005 8.81835 8.71497 6.65799 9.28024 9.75001 numMergedOcc 0
56 mol 259 unq 1 iso 0 dist 8.37865 8.75685 8.71497 9.53031 9.28024 9.75001 numMergedOcc 0
57 mol 264 unq 0 iso 0 dist 9.5784 7.52936 7.34094 11.147 8.56867 13.0664 numMergedOcc 0
58 mol 264 unq 1 iso 0 dist 9.5784 7.52936 7.34094 10.0018 6.29872 10.4666 numMergedOcc 0
59 mol 274 unq 0 iso 0 dist 9.19234 5.64601 9.20749 4.60007 9.85661 6.97575 numMergedOcc 0
60 mol 294 unq 0 iso 0 dist 7.34205 10.808 8.87606 15.321 9.33755 8.56972 numMergedOcc 0
61 mol 294 unq 1 iso 0 dist 7.34205 10.808 8.87606 9.80923 6.25334 9.32087 numMergedOcc 0
