0 mol 24 unq 0 iso 0 dist 7.86009 14.9943 8.86116 13.1266 8.38394 6.44287 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 7.86009 13.1266 8.38394 14.9943 8.86116 6.44287 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 9.09272 11.9464 7.99312 10.6804 8.2183 5.36342 numMergedOcc 0
3 mol 41 unq 0 iso 1 dist 9.09272 10.6804 8.2183 11.9464 7.99312 5.36342 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 7.84098 10.9752 7.2846 5.97638 7.58835 8.81358 numMergedOcc 0
5 mol 45 unq 0 iso 1 dist 7.84098 5.97638 7.58835 10.9752 7.2846 8.81358 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 6.71137 6.56803 6.85766 4.50067 7.71095 10.0246 numMergedOcc 0
7 mol 59 unq 0 iso 1 dist 6.71137 4.50067 7.71095 6.56803 6.85766 10.0246 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 8.17351 4.21919 7.17396 8.92028 9.21998 6.05545 numMergedOcc 0
9 mol 59 unq 1 iso 1 dist 8.17351 8.92028 9.21998 4.21919 7.17396 6.05545 numMergedOcc 0
10 mol 60 unq 0 iso 0 dist 9.60343 5.30537 6.65595 6.62554 9.25011 4.73512 numMergedOcc 0
11 mol 60 unq 0 iso 1 dist 9.60343 6.62554 9.25011 5.30537 6.65595 4.73512 numMergedOcc 0
12 mol 60 unq 1 iso 0 dist 9.60343 5.30537 6.65595 10.7956 6.43294 10.6819 numMergedOcc 0
13 mol 60 unq 1 iso 1 dist 9.60343 10.7956 6.43294 5.30537 6.65595 10.6819 numMergedOcc 0
14 mol 60 unq 2 iso 0 dist 9.60343 5.30537 6.65595 7.87461 8.52121 8.93946 numMergedOcc 0
15 mol 60 unq 2 iso 1 dist 9.60343 7.87461 8.52121 5.30537 6.65595 8.93946 numMergedOcc 0
16 mol 60 unq 1 iso 0 dist 9.60343 6.62554 9.25011 10.7956 6.43294 11.3621 numMergedOcc 0
17 mol 60 unq 1 iso 1 dist 9.60343 10.7956 6.43294 6.62554 9.25011 11.3621 numMergedOcc 0
18 mol 60 unq 2 iso 0 dist 9.60343 6.62554 9.25011 7.87461 8.52121 7.66664 numMergedOcc 0
19 mol 60 unq 2 iso 1 dist 9.60343 7.87461 8.52121 6.62554 9.25011 7.66664 numMergedOcc 0
20 mol 60 unq 2 iso 0 dist 9.60343 10.7956 6.43294 7.87461 8.52121 5.51199 numMergedOcc 0
21 mol 60 unq 2 iso 1 dist 9.60343 7.87461 8.52121 10.7956 6.43294 5.51199 numMergedOcc 0
22 mol 60 unq 3 iso 0 dist 6.58196 5.88526 6.65595 8.583 9.25011 4.73512 numMergedOcc 0
23 mol 60 unq 3 iso 1 dist 6.58196 8.583 9.25011 5.88526 6.65595 4.73512 numMergedOcc 0
24 mol 60 unq 4 iso 0 dist 6.58196 5.88526 6.65595 7.64117 6.43294 10.6819 numMergedOcc 0
25 mol 60 unq 4 iso 1 dist 6.58196 7.64117 6.43294 5.88526 6.65595 10.6819 numMergedOcc 0
26 mol 60 unq 5 iso 0 dist 6.58196 5.88526 6.65595 7.13836 8.52121 8.93946 numMergedOcc 0
27 mol 60 unq 5 iso 1 dist 6.58196 7.13836 8.52121 5.88526 6.65595 8.93946 numMergedOcc 0
28 mol 60 unq 4 iso 0 dist 6.58196 8.583 9.25011 7.64117 6.43294 11.3621 numMergedOcc 0
29 mol 60 unq 4 iso 1 dist 6.58196 7.64117 6.43294 8.583 9.25011 11.3621 numMergedOcc 0
30 mol 60 unq 5 iso 0 dist 6.58196 8.583 9.25011 7.13836 8.52121 7.66664 numMergedOcc 0
31 mol 60 unq 5 iso 1 dist 6.58196 7.13836 8.52121 8.583 9.25011 7.66664 numMergedOcc 0
32 mol 60 unq 5 iso 0 dist 6.58196 7.64117 6.43294 7.13836 8.52121 5.51199 numMergedOcc 0
33 mol 60 unq 5 iso 1 dist 6.58196 7.13836 8.52121 7.64117 6.43294 5.51199 numMergedOcc 0
34 mol 60 unq 6 iso 0 dist 9.51311 3.88612 8.33063 10.5884 6.43294 10.1562 numMergedOcc 0
35 mol 60 unq 6 iso 1 dist 9.51311 10.5884 6.43294 3.88612 8.33063 10.1562 numMergedOcc 0
36 mol 60 unq 7 iso 0 dist 9.51311 3.88612 8.33063 6.34274 8.7531 7.29309 numMergedOcc 0
37 mol 60 unq 7 iso 1 dist 9.51311 6.34274 8.7531 3.88612 8.33063 7.29309 numMergedOcc 0
38 mol 60 unq 7 iso 0 dist 9.51311 10.5884 6.43294 6.34274 8.7531 5.67502 numMergedOcc 0
39 mol 60 unq 7 iso 1 dist 9.51311 6.34274 8.7531 10.5884 6.43294 5.67502 numMergedOcc 0
40 mol 73 unq 0 iso 0 dist 7.10826 13.0428 9.38498 12.5046 9.96396 15.7123 numMergedOcc 0
41 mol 73 unq 0 iso 1 dist 7.10826 12.5046 9.96396 13.0428 9.38498 15.7123 numMergedOcc 0
42 mol 73 unq 1 iso 0 dist 7.10826 13.0428 9.38498 4.51799 9.75218 13.7412 numMergedOcc 0
43 mol 73 unq 1 iso 1 dist 7.10826 4.51799 9.75218 13.0428 9.38498 13.7412 numMergedOcc 0
44 mol 73 unq 1 iso 0 dist 7.10826 12.5046 9.96396 4.51799 9.75218 12.016 numMergedOcc 0
45 mol 73 unq 1 iso 1 dist 7.10826 4.51799 9.75218 12.5046 9.96396 12.016 numMergedOcc 0
46 mol 85 unq 0 iso 0 dist 9.21974 4.98767 7.47541 7.47375 7.66905 5.42586 numMergedOcc 0
47 mol 85 unq 0 iso 1 dist 9.21974 7.47375 7.66905 4.98767 7.47541 5.42586 numMergedOcc 0
48 mol 85 unq 1 iso 0 dist 9.21974 4.98767 7.47541 6.7801 5.73196 6.87425 numMergedOcc 0
49 mol 85 unq 1 iso 1 dist 9.21974 6.7801 5.73196 4.98767 7.47541 6.87425 numMergedOcc 0
50 mol 85 unq 1 iso 0 dist 9.21974 7.47375 7.66905 6.7801 5.73196 10.1164 numMergedOcc 0
51 mol 85 unq 1 iso 1 dist 9.21974 6.7801 5.73196 7.47375 7.66905 10.1164 numMergedOcc 0
52 mol 100 unq 0 iso 0 dist 7.92708 4.43203 9.60661 12.5527 7.17106 11.5403 numMergedOcc 0
53 mol 100 unq 0 iso 1 dist 7.92708 12.5527 7.17106 4.43203 9.60661 11.5403 numMergedOcc 0
54 mol 100 unq 1 iso 0 dist 7.92708 4.43203 9.60661 9.84997 9.35224 7.80879 numMergedOcc 0
55 mol 100 unq 1 iso 1 dist 7.92708 9.84997 9.35224 4.43203 9.60661 7.80879 numMergedOcc 0
56 mol 100 unq 1 iso 0 dist 7.92708 12.5527 7.17106 9.84997 9.35224 8.87654 numMergedOcc 0
57 mol 100 unq 1 iso 1 dist 7.92708 9.84997 9.35224 12.5527 7.17106 8.87654 numMergedOcc 0
58 mol 100 unq 2 iso 0 dist 5.1385 5.96628 7.47343 4.43203 6.65086 8.8807 numMergedOcc 0
59 mol 100 unq 2 iso 1 dist 5.1385 4.43203 6.65086 5.96628 7.47343 8.8807 numMergedOcc 0
60 mol 100 unq 3 iso 0 dist 5.1385 5.96628 7.47343 9.84997 6.56369 12.6515 numMergedOcc 0
61 mol 100 unq 3 iso 1 dist 5.1385 9.84997 6.56369 5.96628 7.47343 12.6515 numMergedOcc 0
62 mol 100 unq 4 iso 0 dist 5.1385 5.96628 7.47343 9.21424 9.30209 13.887 numMergedOcc 0
63 mol 100 unq 4 iso 1 dist 5.1385 9.21424 9.30209 5.96628 7.47343 13.887 numMergedOcc 0
64 mol 100 unq 3 iso 0 dist 5.1385 4.43203 6.65086 9.84997 6.56369 7.80879 numMergedOcc 0
65 mol 100 unq 3 iso 1 dist 5.1385 9.84997 6.56369 4.43203 6.65086 7.80879 numMergedOcc 0
66 mol 100 unq 4 iso 0 dist 5.1385 4.43203 6.65086 9.21424 9.30209 5.38414 numMergedOcc 0
67 mol 100 unq 4 iso 1 dist 5.1385 9.21424 9.30209 4.43203 6.65086 5.38414 numMergedOcc 0
68 mol 100 unq 4 iso 0 dist 5.1385 9.84997 6.56369 9.21424 9.30209 6.39938 numMergedOcc 0
69 mol 100 unq 4 iso 1 dist 5.1385 9.21424 9.30209 9.84997 6.56369 6.39938 numMergedOcc 0
70 mol 100 unq 5 iso 0 dist 4.86758 9.60547 6.45675 9.59578 7.47343 5.33144 numMergedOcc 0
71 mol 100 unq 5 iso 1 dist 4.86758 9.59578 7.47343 9.60547 6.45675 5.33144 numMergedOcc 0
72 mol 100 unq 6 iso 0 dist 4.86758 9.60547 6.45675 5.92453 8.86688 9.71151 numMergedOcc 0
73 mol 100 unq 6 iso 1 dist 4.86758 5.92453 8.86688 9.60547 6.45675 9.71151 numMergedOcc 0
74 mol 100 unq 6 iso 0 dist 4.86758 9.59578 7.47343 5.92453 8.86688 10.1407 numMergedOcc 0
75 mol 100 unq 6 iso 1 dist 4.86758 5.92453 8.86688 9.59578 7.47343 10.1407 numMergedOcc 0
76 mol 115 unq 0 iso 0 dist 6.62424 11.3434 6.90986 9.09842 5.39945 5.67807 numMergedOcc 0
77 mol 115 unq 0 iso 1 dist 6.62424 9.09842 5.39945 11.3434 6.90986 5.67807 numMergedOcc 0
78 mol 117 unq 0 iso 0 dist 8.08241 8.25965 9.84395 13.9096 7.90328 13.1058 numMergedOcc 0
79 mol 117 unq 0 iso 1 dist 8.08241 13.9096 7.90328 8.25965 9.84395 13.1058 numMergedOcc 0
80 mol 142 unq 0 iso 0 dist 8.60866 10.051 9.2313 5.56494 5.31024 5.32922 numMergedOcc 0
81 mol 142 unq 0 iso 1 dist 8.60866 5.56494 5.31024 10.051 9.2313 5.32922 numMergedOcc 0
82 mol 205 unq 0 iso 0 dist 5.4116 6.18754 9.61492 6.20433 7.45763 11.8283 numMergedOcc 0
83 mol 205 unq 0 iso 1 dist 5.4116 6.20433 7.45763 6.18754 9.61492 11.8283 numMergedOcc 0
84 mol 253 unq 0 iso 0 dist 8.77809 4.39307 7.32223 8.48607 8.31064 7.25988 numMergedOcc 0
85 mol 253 unq 0 iso 1 dist 8.77809 8.48607 8.31064 4.39307 7.32223 7.25988 numMergedOcc 0
