0 mol 33 unq 0 iso 0 dist 5.84349 3.82411 4.64187 4.28598 7.95437 4.43305 numMergedOcc 0
1 mol 33 unq 0 iso 1 dist 5.84349 4.28598 7.95437 3.82411 4.64187 4.43305 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 6.64721 7.827 7.31718 8.35566 5.47447 8.32323 numMergedOcc 0
3 mol 41 unq 0 iso 1 dist 6.64721 8.35566 5.47447 7.827 7.31718 8.32323 numMergedOcc 0
4 mol 41 unq 1 iso 0 dist 9.36169 5.82619 7.31718 12.3869 5.47447 8.32323 numMergedOcc 0
5 mol 41 unq 1 iso 1 dist 9.36169 12.3869 5.47447 5.82619 7.31718 8.32323 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 8.8014 5.29175 5.64092 14.9646 8.71074 12.8321 numMergedOcc 0
7 mol 68 unq 0 iso 1 dist 8.8014 14.9646 8.71074 5.29175 5.64092 12.8321 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 8.25047 8.58059 5.45099 14.7497 8.44765 6.98219 numMergedOcc 0
9 mol 76 unq 0 iso 1 dist 8.25047 14.7497 8.44765 8.58059 5.45099 6.98219 numMergedOcc 0
10 mol 76 unq 1 iso 0 dist 8.25047 8.58059 5.45099 14.3572 9.06643 8.74837 numMergedOcc 0
11 mol 76 unq 1 iso 1 dist 8.25047 14.3572 9.06643 8.58059 5.45099 8.74837 numMergedOcc 0
12 mol 76 unq 1 iso 0 dist 8.25047 14.7497 8.44765 14.3572 9.06643 4.82479 numMergedOcc 0
13 mol 76 unq 1 iso 1 dist 8.25047 14.3572 9.06643 14.7497 8.44765 4.82479 numMergedOcc 0
14 mol 79 unq 0 iso 0 dist 7.65917 3.87187 9.54696 7.45894 4.62636 7.64831 numMergedOcc 0
15 mol 79 unq 0 iso 1 dist 7.65917 7.45894 4.62636 3.87187 9.54696 7.64831 numMergedOcc 0
16 mol 85 unq 0 iso 0 dist 6.24296 3.81285 4.29937 6.17121 5.37869 2.58673 numMergedOcc 0
17 mol 85 unq 0 iso 1 dist 6.24296 6.17121 5.37869 3.81285 4.29937 2.58673 numMergedOcc 0
18 mol 85 unq 1 iso 0 dist 6.83218 3.81285 3.65628 6.17121 4.05415 2.58673 numMergedOcc 0
19 mol 85 unq 1 iso 1 dist 6.83218 6.17121 4.05415 3.81285 3.65628 2.58673 numMergedOcc 0
20 mol 93 unq 0 iso 0 dist 9.43355 13.6305 6.67678 14.1431 7.24956 2.81832 numMergedOcc 0
21 mol 93 unq 0 iso 1 dist 9.43355 14.1431 7.24956 13.6305 6.67678 2.81832 numMergedOcc 0
22 mol 93 unq 1 iso 0 dist 9.43355 13.6305 6.67678 3.99275 8.28591 10.7776 numMergedOcc 0
23 mol 93 unq 1 iso 1 dist 9.43355 3.99275 8.28591 13.6305 6.67678 10.7776 numMergedOcc 0
24 mol 93 unq 2 iso 0 dist 9.43355 13.6305 6.67678 6.46195 9.40687 10.4844 numMergedOcc 0
25 mol 93 unq 2 iso 1 dist 9.43355 6.46195 9.40687 13.6305 6.67678 10.4844 numMergedOcc 0
26 mol 93 unq 1 iso 0 dist 9.43355 14.1431 7.24956 3.99275 8.28591 11.7564 numMergedOcc 0
27 mol 93 unq 1 iso 1 dist 9.43355 3.99275 8.28591 14.1431 7.24956 11.7564 numMergedOcc 0
28 mol 93 unq 2 iso 0 dist 9.43355 14.1431 7.24956 6.46195 9.40687 10.3262 numMergedOcc 0
29 mol 93 unq 2 iso 1 dist 9.43355 6.46195 9.40687 14.1431 7.24956 10.3262 numMergedOcc 0
30 mol 93 unq 2 iso 0 dist 9.43355 3.99275 8.28591 6.46195 9.40687 5.02964 numMergedOcc 0
31 mol 93 unq 2 iso 1 dist 9.43355 6.46195 9.40687 3.99275 8.28591 5.02964 numMergedOcc 0
32 mol 93 unq 3 iso 0 dist 5.64141 3.99275 5.35008 6.46195 8.84576 5.02964 numMergedOcc 0
33 mol 93 unq 3 iso 1 dist 5.64141 6.46195 8.84576 3.99275 5.35008 5.02964 numMergedOcc 0
34 mol 93 unq 4 iso 0 dist 5.46186 3.99275 8.30921 6.46195 7.39732 5.02964 numMergedOcc 0
35 mol 93 unq 4 iso 1 dist 5.46186 6.46195 7.39732 3.99275 8.30921 5.02964 numMergedOcc 0
36 mol 93 unq 5 iso 0 dist 5.46186 3.99275 8.30921 10.4525 9.67744 8.84051 numMergedOcc 0
37 mol 93 unq 5 iso 1 dist 5.46186 10.4525 9.67744 3.99275 8.30921 8.84051 numMergedOcc 0
38 mol 93 unq 5 iso 0 dist 5.46186 6.46195 7.39732 10.4525 9.67744 5.30633 numMergedOcc 0
39 mol 93 unq 5 iso 1 dist 5.46186 10.4525 9.67744 6.46195 7.39732 5.30633 numMergedOcc 0
40 mol 107 unq 0 iso 0 dist 8.50257 3.51814 7.91251 13.9569 9.09262 13.5807 numMergedOcc 0
41 mol 107 unq 0 iso 1 dist 8.50257 13.9569 9.09262 3.51814 7.91251 13.5807 numMergedOcc 0
42 mol 141 unq 0 iso 0 dist 5.24228 6.46148 5.95801 14.5965 9.92715 10.7858 numMergedOcc 0
43 mol 141 unq 0 iso 1 dist 5.24228 14.5965 9.92715 6.46148 5.95801 10.7858 numMergedOcc 0
44 mol 147 unq 0 iso 0 dist 8.10157 3.75216 5.12272 6.64419 8.7121 4.68125 numMergedOcc 0
45 mol 147 unq 0 iso 1 dist 8.10157 6.64419 8.7121 3.75216 5.12272 4.68125 numMergedOcc 0
46 mol 186 unq 0 iso 0 dist 9.22792 10.2655 6.94594 11.6331 5.81881 3.09727 numMergedOcc 0
47 mol 186 unq 0 iso 1 dist 9.22792 11.6331 5.81881 10.2655 6.94594 3.09727 numMergedOcc 0
48 mol 218 unq 0 iso 0 dist 5.4767 6.58822 6.17843 9.62149 8.52772 5.51725 numMergedOcc 0
49 mol 218 unq 0 iso 1 dist 5.4767 9.62149 8.52772 6.58822 6.17843 5.51725 numMergedOcc 0
