0 mol 7 unq 0 iso 0 dist 7.38748 7.15287 6.8464 7.8893 9.15183 5.13353 numMergedOcc 0
1 mol 7 unq 0 iso 1 dist 7.38748 7.8893 9.15183 7.15287 6.8464 5.13353 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 8.01055 11.8626 6.89519 13.1565 5.24341 6.28575 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 8.01055 13.1565 5.24341 11.8626 6.89519 6.28575 numMergedOcc 0
4 mol 14 unq 0 iso 0 dist 8.10957 4.81121 8.82819 7.95811 5.36937 5.53425 numMergedOcc 0
5 mol 14 unq 0 iso 1 dist 8.10957 7.95811 5.36937 4.81121 8.82819 5.53425 numMergedOcc 0
6 mol 14 unq 1 iso 0 dist 8.10957 4.81121 8.82819 6.24146 5.99703 5.67201 numMergedOcc 0
7 mol 14 unq 1 iso 1 dist 8.10957 6.24146 5.99703 4.81121 8.82819 5.67201 numMergedOcc 0
8 mol 14 unq 1 iso 0 dist 8.10957 7.95811 5.36937 6.24146 5.99703 4.53725 numMergedOcc 0
9 mol 14 unq 1 iso 1 dist 8.10957 6.24146 5.99703 7.95811 5.36937 4.53725 numMergedOcc 0
10 mol 33 unq 0 iso 0 dist 8.74487 6.76964 9.79966 8.87482 5.52992 6.76487 numMergedOcc 0
11 mol 33 unq 0 iso 1 dist 8.74487 8.87482 5.52992 6.76964 9.79966 6.76487 numMergedOcc 0
12 mol 33 unq 1 iso 0 dist 7.44828 5.7655 9.79966 5.62472 5.52992 6.76487 numMergedOcc 0
13 mol 33 unq 1 iso 1 dist 7.44828 5.62472 5.52992 5.7655 9.79966 6.76487 numMergedOcc 0
14 mol 43 unq 0 iso 0 dist 8.84944 7.95485 9.21978 14.9082 8.03754 11.3575 numMergedOcc 0
15 mol 43 unq 0 iso 1 dist 8.84944 14.9082 8.03754 7.95485 9.21978 11.3575 numMergedOcc 0
16 mol 43 unq 1 iso 0 dist 7.21995 6.80633 9.21978 4.80528 8.03754 11.3575 numMergedOcc 0
17 mol 43 unq 1 iso 1 dist 7.21995 4.80528 8.03754 6.80633 9.21978 11.3575 numMergedOcc 0
18 mol 64 unq 0 iso 0 dist 8.52643 15.4665 8.75668 9.48441 9.64871 10.6748 numMergedOcc 0
19 mol 64 unq 0 iso 1 dist 8.52643 9.48441 9.64871 15.4665 8.75668 10.6748 numMergedOcc 0
20 mol 64 unq 1 iso 0 dist 8.52643 15.4665 8.75668 4.76091 9.95118 14.7857 numMergedOcc 0
21 mol 64 unq 1 iso 1 dist 8.52643 4.76091 9.95118 15.4665 8.75668 14.7857 numMergedOcc 0
22 mol 64 unq 1 iso 0 dist 8.52643 9.48441 9.64871 4.76091 9.95118 5.87491 numMergedOcc 0
23 mol 64 unq 1 iso 1 dist 8.52643 4.76091 9.95118 9.48441 9.64871 5.87491 numMergedOcc 0
24 mol 64 unq 2 iso 0 dist 5.41357 9.95527 8.75668 6.41829 9.64871 10.6748 numMergedOcc 0
25 mol 64 unq 2 iso 1 dist 5.41357 6.41829 9.64871 9.95527 8.75668 10.6748 numMergedOcc 0
26 mol 64 unq 3 iso 0 dist 5.41357 9.95527 8.75668 6.13923 9.95118 14.7857 numMergedOcc 0
27 mol 64 unq 3 iso 1 dist 5.41357 6.13923 9.95118 9.95527 8.75668 14.7857 numMergedOcc 0
28 mol 64 unq 3 iso 0 dist 5.41357 6.41829 9.64871 6.13923 9.95118 5.87491 numMergedOcc 0
29 mol 64 unq 3 iso 1 dist 5.41357 6.13923 9.95118 6.41829 9.64871 5.87491 numMergedOcc 0
30 mol 73 unq 0 iso 0 dist 8.07498 4.97477 9.04731 16.0506 9.85884 13.8897 numMergedOcc 0
31 mol 73 unq 0 iso 1 dist 8.07498 16.0506 9.85884 4.97477 9.04731 13.8897 numMergedOcc 0
32 mol 73 unq 1 iso 0 dist 9.47045 10.5755 9.04731 9.80866 9.85884 13.8897 numMergedOcc 0
33 mol 73 unq 1 iso 1 dist 9.47045 9.80866 9.85884 10.5755 9.04731 13.8897 numMergedOcc 0
34 mol 78 unq 0 iso 0 dist 9.86325 6.02362 9.95767 9.54341 5.68286 6.39947 numMergedOcc 0
35 mol 78 unq 0 iso 1 dist 9.86325 9.54341 5.68286 6.02362 9.95767 6.39947 numMergedOcc 0
36 mol 101 unq 0 iso 0 dist 7.1859 4.51951 8.65215 5.82598 9.65097 6.69637 numMergedOcc 0
37 mol 101 unq 0 iso 1 dist 7.1859 5.82598 9.65097 4.51951 8.65215 6.69637 numMergedOcc 0
38 mol 129 unq 0 iso 0 dist 7.6453 4.80675 8.00624 7.01358 8.42289 10.5871 numMergedOcc 0
39 mol 129 unq 0 iso 1 dist 7.6453 7.01358 8.42289 4.80675 8.00624 10.5871 numMergedOcc 0
40 mol 140 unq 0 iso 0 dist 8.94921 4.58643 8.92292 11.6044 8.67876 9.66601 numMergedOcc 0
41 mol 140 unq 0 iso 1 dist 8.94921 11.6044 8.67876 4.58643 8.92292 9.66601 numMergedOcc 0
42 mol 140 unq 1 iso 0 dist 8.94921 4.58643 8.92292 15.8205 9.11235 14.6429 numMergedOcc 0
43 mol 140 unq 1 iso 1 dist 8.94921 15.8205 9.11235 4.58643 8.92292 14.6429 numMergedOcc 0
44 mol 140 unq 2 iso 0 dist 8.94921 4.58643 8.92292 10.0917 8.15118 11.9042 numMergedOcc 0
45 mol 140 unq 2 iso 1 dist 8.94921 10.0917 8.15118 4.58643 8.92292 11.9042 numMergedOcc 0
46 mol 140 unq 1 iso 0 dist 8.94921 11.6044 8.67876 15.8205 9.11235 6.43459 numMergedOcc 0
47 mol 140 unq 1 iso 1 dist 8.94921 15.8205 9.11235 11.6044 8.67876 6.43459 numMergedOcc 0
48 mol 140 unq 2 iso 0 dist 8.94921 11.6044 8.67876 10.0917 8.15118 8.90548 numMergedOcc 0
49 mol 140 unq 2 iso 1 dist 8.94921 10.0917 8.15118 11.6044 8.67876 8.90548 numMergedOcc 0
50 mol 140 unq 2 iso 0 dist 8.94921 15.8205 9.11235 10.0917 8.15118 9.87462 numMergedOcc 0
51 mol 140 unq 2 iso 1 dist 8.94921 10.0917 8.15118 15.8205 9.11235 9.87462 numMergedOcc 0
52 mol 140 unq 3 iso 0 dist 7.77669 13.7353 8.92292 12.5321 8.67876 9.66601 numMergedOcc 0
53 mol 140 unq 3 iso 1 dist 7.77669 12.5321 8.67876 13.7353 8.92292 9.66601 numMergedOcc 0
54 mol 140 unq 4 iso 0 dist 7.77669 13.7353 8.92292 11.9489 9.11235 14.6429 numMergedOcc 0
55 mol 140 unq 4 iso 1 dist 7.77669 11.9489 9.11235 13.7353 8.92292 14.6429 numMergedOcc 0
56 mol 140 unq 5 iso 0 dist 7.77669 13.7353 8.92292 4.95731 8.15118 11.9042 numMergedOcc 0
57 mol 140 unq 5 iso 1 dist 7.77669 4.95731 8.15118 13.7353 8.92292 11.9042 numMergedOcc 0
58 mol 140 unq 4 iso 0 dist 7.77669 12.5321 8.67876 11.9489 9.11235 6.43459 numMergedOcc 0
59 mol 140 unq 4 iso 1 dist 7.77669 11.9489 9.11235 12.5321 8.67876 6.43459 numMergedOcc 0
60 mol 140 unq 5 iso 0 dist 7.77669 12.5321 8.67876 4.95731 8.15118 8.90548 numMergedOcc 0
61 mol 140 unq 5 iso 1 dist 7.77669 4.95731 8.15118 12.5321 8.67876 8.90548 numMergedOcc 0
62 mol 140 unq 5 iso 0 dist 7.77669 11.9489 9.11235 4.95731 8.15118 9.87462 numMergedOcc 0
63 mol 140 unq 5 iso 1 dist 7.77669 4.95731 8.15118 11.9489 9.11235 9.87462 numMergedOcc 0
64 mol 176 unq 0 iso 0 dist 7.98755 11.6341 8.02366 5.17719 8.93118 12.5551 numMergedOcc 0
65 mol 176 unq 0 iso 1 dist 7.98755 5.17719 8.93118 11.6341 8.02366 12.5551 numMergedOcc 0
66 mol 236 unq 0 iso 0 dist 4.71683 5.52669 9.44496 7.77821 7.87233 12.8967 numMergedOcc 0
67 mol 236 unq 0 iso 1 dist 4.71683 7.77821 7.87233 5.52669 9.44496 12.8967 numMergedOcc 0
68 mol 239 unq 0 iso 0 dist 9.01071 8.70119 6.29774 10.1972 9.28258 6.68485 numMergedOcc 0
69 mol 239 unq 0 iso 1 dist 9.01071 10.1972 9.28258 8.70119 6.29774 6.68485 numMergedOcc 0
70 mol 258 unq 0 iso 0 dist 6.33567 6.51074 7.69358 5.57797 7.57187 4.26007 numMergedOcc 0
71 mol 258 unq 0 iso 1 dist 6.33567 5.57797 7.57187 6.51074 7.69358 4.26007 numMergedOcc 0
72 mol 280 unq 0 iso 0 dist 4.45141 6.07005 5.41639 7.38048 7.96485 5.51836 numMergedOcc 0
73 mol 280 unq 0 iso 1 dist 4.45141 7.38048 7.96485 6.07005 5.41639 5.51836 numMergedOcc 0
