0 mol 7 unq 0 iso 0 dist 7.88043 8.80762 4.95029 5.99459 8.0744 11.7002 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 8.80762 7.88043 4.95029 5.99459 11.7002 8.0744 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 7.92414 6.82379 10.9776 6.56356 4.69349 8.64248 numMergedOcc 0
3 mol 8 unq 0 iso 1 dist 6.82379 7.92414 10.9776 6.56356 8.64248 4.69349 numMergedOcc 0
4 mol 38 unq 0 iso 0 dist 7.57959 7.05737 5.72847 9.19165 5.29787 5.26748 numMergedOcc 0
5 mol 38 unq 0 iso 1 dist 7.05737 7.57959 5.72847 9.19165 5.26748 5.29787 numMergedOcc 0
6 mol 73 unq 0 iso 0 dist 8.85586 7.11 8.2073 5.5087 5.50891 7.50869 numMergedOcc 0
7 mol 73 unq 0 iso 1 dist 7.11 8.85586 8.2073 5.5087 7.50869 5.50891 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 8.85586 7.11 8.2073 6.08682 4.75954 3.6807 numMergedOcc 0
9 mol 73 unq 1 iso 1 dist 7.11 8.85586 8.2073 6.08682 3.6807 4.75954 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 4.79949 7.27693 5.82816 9.85905 11.0792 6.48293 numMergedOcc 0
11 mol 76 unq 0 iso 1 dist 7.27693 4.79949 5.82816 9.85905 6.48293 11.0792 numMergedOcc 0
12 mol 100 unq 0 iso 0 dist 9.00544 7.12017 10.6713 7.82475 11.3766 13.4027 numMergedOcc 0
13 mol 100 unq 0 iso 1 dist 7.12017 9.00544 10.6713 7.82475 13.4027 11.3766 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 9.00544 7.12017 10.6713 5.35782 10.5056 12.068 numMergedOcc 0
15 mol 100 unq 1 iso 1 dist 7.12017 9.00544 10.6713 5.35782 12.068 10.5056 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 8.56342 6.37542 8.77578 7.64052 6.29394 9.64502 numMergedOcc 0
17 mol 119 unq 0 iso 1 dist 6.37542 8.56342 8.77578 7.64052 9.64502 6.29394 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 8.41611 7.63338 7.96704 7.36975 9.05786 3.75378 numMergedOcc 0
19 mol 143 unq 0 iso 1 dist 7.63338 8.41611 7.96704 7.36975 3.75378 9.05786 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 8.41611 7.63338 7.96704 5.40637 6.16103 8.4697 numMergedOcc 0
21 mol 143 unq 1 iso 1 dist 7.63338 8.41611 7.96704 5.40637 8.4697 6.16103 numMergedOcc 0
22 mol 143 unq 2 iso 0 dist 8.41611 9.03707 11.1397 7.36975 9.05786 14.0356 numMergedOcc 0
23 mol 143 unq 2 iso 1 dist 9.03707 8.41611 11.1397 7.36975 14.0356 9.05786 numMergedOcc 0
24 mol 143 unq 3 iso 0 dist 8.41611 9.03707 11.1397 5.40637 6.16103 5.41614 numMergedOcc 0
25 mol 143 unq 3 iso 1 dist 9.03707 8.41611 11.1397 5.40637 5.41614 6.16103 numMergedOcc 0
26 mol 143 unq 4 iso 0 dist 8.41611 7.25673 10.7886 7.36975 9.05786 9.30534 numMergedOcc 0
27 mol 143 unq 4 iso 1 dist 7.25673 8.41611 10.7886 7.36975 9.30534 9.05786 numMergedOcc 0
28 mol 143 unq 5 iso 0 dist 8.41611 7.25673 10.7886 5.40637 6.16103 6.78032 numMergedOcc 0
29 mol 143 unq 5 iso 1 dist 7.25673 8.41611 10.7886 5.40637 6.78032 6.16103 numMergedOcc 0
30 mol 143 unq 2 iso 0 dist 7.63338 9.03707 11.6633 7.36975 3.75378 14.0356 numMergedOcc 0
31 mol 143 unq 2 iso 1 dist 9.03707 7.63338 11.6633 7.36975 14.0356 3.75378 numMergedOcc 0
32 mol 143 unq 3 iso 0 dist 7.63338 9.03707 11.6633 5.40637 8.4697 5.41614 numMergedOcc 0
33 mol 143 unq 3 iso 1 dist 9.03707 7.63338 11.6633 5.40637 5.41614 8.4697 numMergedOcc 0
34 mol 143 unq 4 iso 0 dist 7.63338 7.25673 6.77212 7.36975 3.75378 9.30534 numMergedOcc 0
35 mol 143 unq 4 iso 1 dist 7.25673 7.63338 6.77212 7.36975 9.30534 3.75378 numMergedOcc 0
36 mol 143 unq 5 iso 0 dist 7.63338 7.25673 6.77212 5.40637 8.4697 6.78032 numMergedOcc 0
37 mol 143 unq 5 iso 1 dist 7.25673 7.63338 6.77212 5.40637 6.78032 8.4697 numMergedOcc 0
38 mol 143 unq 4 iso 0 dist 9.03707 7.25673 6.48609 7.36975 14.0356 9.30534 numMergedOcc 0
39 mol 143 unq 4 iso 1 dist 7.25673 9.03707 6.48609 7.36975 9.30534 14.0356 numMergedOcc 0
40 mol 143 unq 5 iso 0 dist 9.03707 7.25673 6.48609 5.40637 5.41614 6.78032 numMergedOcc 0
41 mol 143 unq 5 iso 1 dist 7.25673 9.03707 6.48609 5.40637 6.78032 5.41614 numMergedOcc 0
42 mol 175 unq 0 iso 0 dist 5.4969 6.4318 5.84099 9.63417 9.37652 4.52999 numMergedOcc 0
43 mol 175 unq 0 iso 1 dist 6.4318 5.4969 5.84099 9.63417 4.52999 9.37652 numMergedOcc 0
44 mol 175 unq 1 iso 0 dist 5.4969 7.35824 8.63478 9.63417 9.37652 5.68406 numMergedOcc 0
45 mol 175 unq 1 iso 1 dist 7.35824 5.4969 8.63478 9.63417 5.68406 9.37652 numMergedOcc 0
46 mol 175 unq 2 iso 0 dist 5.4969 9.17364 13.3054 9.63417 9.37652 9.31641 numMergedOcc 0
47 mol 175 unq 2 iso 1 dist 9.17364 5.4969 13.3054 9.63417 9.31641 9.37652 numMergedOcc 0
48 mol 175 unq 1 iso 0 dist 6.4318 7.35824 6.77843 9.63417 4.52999 5.68406 numMergedOcc 0
49 mol 175 unq 1 iso 1 dist 7.35824 6.4318 6.77843 9.63417 5.68406 4.52999 numMergedOcc 0
50 mol 175 unq 2 iso 0 dist 6.4318 9.17364 10.0636 9.63417 4.52999 9.31641 numMergedOcc 0
51 mol 175 unq 2 iso 1 dist 9.17364 6.4318 10.0636 9.63417 9.31641 4.52999 numMergedOcc 0
52 mol 175 unq 2 iso 0 dist 7.35824 9.17364 7.07861 9.63417 5.68406 9.31641 numMergedOcc 0
53 mol 175 unq 2 iso 1 dist 9.17364 7.35824 7.07861 9.63417 9.31641 5.68406 numMergedOcc 0
54 mol 186 unq 0 iso 0 dist 9.83476 6.258 13.2879 7.2793 6.38897 8.88593 numMergedOcc 0
55 mol 186 unq 0 iso 1 dist 6.258 9.83476 13.2879 7.2793 8.88593 6.38897 numMergedOcc 0
56 mol 186 unq 1 iso 0 dist 9.83476 6.258 13.2879 9.51091 8.93258 8.7188 numMergedOcc 0
57 mol 186 unq 1 iso 1 dist 6.258 9.83476 13.2879 9.51091 8.7188 8.93258 numMergedOcc 0
58 mol 186 unq 2 iso 0 dist 9.83476 6.258 13.2879 7.85184 11.924 9.8366 numMergedOcc 0
59 mol 186 unq 2 iso 1 dist 6.258 9.83476 13.2879 7.85184 9.8366 11.924 numMergedOcc 0
60 mol 207 unq 0 iso 0 dist 8.85547 7.96797 5.03424 5.12567 5.34977 5.47626 numMergedOcc 0
61 mol 207 unq 0 iso 1 dist 7.96797 8.85547 5.03424 5.12567 5.47626 5.34977 numMergedOcc 0
62 mol 207 unq 1 iso 0 dist 8.85547 7.96797 5.03424 6.0563 5.34897 7.64813 numMergedOcc 0
63 mol 207 unq 1 iso 1 dist 7.96797 8.85547 5.03424 6.0563 7.64813 5.34897 numMergedOcc 0
64 mol 207 unq 2 iso 0 dist 8.85547 7.96797 5.03424 8.1244 9.86978 11.9725 numMergedOcc 0
65 mol 207 unq 2 iso 1 dist 7.96797 8.85547 5.03424 8.1244 11.9725 9.86978 numMergedOcc 0
66 mol 218 unq 0 iso 0 dist 6.29367 8.86175 11.2353 8.75536 6.57708 13.4147 numMergedOcc 0
67 mol 218 unq 0 iso 1 dist 8.86175 6.29367 11.2353 8.75536 13.4147 6.57708 numMergedOcc 0
68 mol 218 unq 1 iso 0 dist 8.06216 5.76954 6.73047 7.33709 7.4492 6.57708 numMergedOcc 0
69 mol 218 unq 1 iso 1 dist 5.76954 8.06216 6.73047 7.33709 6.57708 7.4492 numMergedOcc 0
70 mol 218 unq 2 iso 0 dist 8.06216 6.29511 12.255 7.33709 7.4492 13.4147 numMergedOcc 0
71 mol 218 unq 2 iso 1 dist 6.29511 8.06216 12.255 7.33709 13.4147 7.4492 numMergedOcc 0
72 mol 218 unq 2 iso 0 dist 5.76954 6.29511 11.2353 7.33709 6.57708 13.4147 numMergedOcc 0
73 mol 218 unq 2 iso 1 dist 6.29511 5.76954 11.2353 7.33709 13.4147 6.57708 numMergedOcc 0
