0 mol 18 unq 0 iso 0 dist 8.51213 11.0081 9.51761 11.3758 7.3094 9.70492 7.30279 7.55766 12.4713 6.48196 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 8.51213 11.3758 7.3094 11.0081 9.51761 9.70492 7.30279 7.55766 6.48196 12.4713 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.80849 13.9888 8.86116 10.1696 8.38394 6.44287 9.90348 6.72502 6.58998 6.59374 numMergedOcc 0
3 mol 24 unq 0 iso 1 dist 6.80849 10.1696 8.38394 13.9888 8.86116 6.44287 9.90348 6.72502 6.59374 6.58998 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 6.00307 7.95074 7.57578 10.3928 7.17969 4.33106 6.13982 6.90155 9.36158 10.1525 numMergedOcc 0
5 mol 25 unq 0 iso 1 dist 6.00307 10.3928 7.17969 7.95074 7.57578 4.33106 6.13982 6.90155 10.1525 9.36158 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 4.31067 9.04817 5.08437 4.70157 6.48948 9.51923 10.2492 7.26086 7.32662 13.4985 numMergedOcc 0
7 mol 98 unq 0 iso 1 dist 4.31067 4.70157 6.48948 9.04817 5.08437 9.51923 10.2492 7.26086 13.4985 7.32662 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 4.31067 9.04817 5.08437 6.21302 6.10456 8.40073 10.2492 7.26086 7.32662 6.934 numMergedOcc 0
9 mol 98 unq 1 iso 1 dist 4.31067 6.21302 6.10456 9.04817 5.08437 8.40073 10.2492 7.26086 6.934 7.32662 numMergedOcc 0
10 mol 98 unq 1 iso 0 dist 4.31067 4.70157 6.48948 6.21302 6.10456 9.42358 10.2492 7.26086 13.4985 6.934 numMergedOcc 0
11 mol 98 unq 1 iso 1 dist 4.31067 6.21302 6.10456 4.70157 6.48948 9.42358 10.2492 7.26086 6.934 13.4985 numMergedOcc 0
12 mol 120 unq 0 iso 0 dist 8.20009 10.7527 8.75408 5.6257 6.44653 5.23036 15.3512 8.93905 7.27181 10.5192 numMergedOcc 0
13 mol 120 unq 0 iso 1 dist 8.20009 5.6257 6.44653 10.7527 8.75408 5.23036 15.3512 8.93905 10.5192 7.27181 numMergedOcc 0
14 mol 120 unq 1 iso 0 dist 8.14799 9.8469 8.75408 5.0256 6.44653 5.23036 14.3305 8.93905 7.27181 10.5192 numMergedOcc 0
15 mol 120 unq 1 iso 1 dist 8.14799 5.0256 6.44653 9.8469 8.75408 5.23036 14.3305 8.93905 10.5192 7.27181 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 9.37459 8.41711 5.87555 4.82496 8.87437 5.49936 13.8158 8.35555 5.59336 10.9728 numMergedOcc 0
17 mol 152 unq 0 iso 1 dist 9.37459 4.82496 8.87437 8.41711 5.87555 5.49936 13.8158 8.35555 10.9728 5.59336 numMergedOcc 0
18 mol 178 unq 0 iso 0 dist 7.14849 6.96904 6.69288 7.57303 6.43573 5.34677 6.72936 4.92088 10.1489 8.27339 numMergedOcc 0
19 mol 178 unq 0 iso 1 dist 7.14849 7.57303 6.43573 6.96904 6.69288 5.34677 6.72936 4.92088 8.27339 10.1489 numMergedOcc 0
20 mol 178 unq 1 iso 0 dist 7.14849 6.96904 6.69288 14.0459 7.17202 11.7381 6.72936 4.92088 10.1489 9.79302 numMergedOcc 0
21 mol 178 unq 1 iso 1 dist 7.14849 14.0459 7.17202 6.96904 6.69288 11.7381 6.72936 4.92088 9.79302 10.1489 numMergedOcc 0
22 mol 178 unq 2 iso 0 dist 7.14849 6.96904 6.69288 14.3001 8.81551 14.0703 6.72936 4.92088 10.1489 8.65097 numMergedOcc 0
23 mol 178 unq 2 iso 1 dist 7.14849 14.3001 8.81551 6.96904 6.69288 14.0703 6.72936 4.92088 8.65097 10.1489 numMergedOcc 0
24 mol 178 unq 1 iso 0 dist 7.14849 7.57303 6.43573 14.0459 7.17202 9.89739 6.72936 4.92088 8.27339 9.79302 numMergedOcc 0
25 mol 178 unq 1 iso 1 dist 7.14849 14.0459 7.17202 7.57303 6.43573 9.89739 6.72936 4.92088 9.79302 8.27339 numMergedOcc 0
26 mol 178 unq 2 iso 0 dist 7.14849 7.57303 6.43573 14.3001 8.81551 10.5529 6.72936 4.92088 8.27339 8.65097 numMergedOcc 0
27 mol 178 unq 2 iso 1 dist 7.14849 14.3001 8.81551 7.57303 6.43573 10.5529 6.72936 4.92088 8.65097 8.27339 numMergedOcc 0
28 mol 178 unq 2 iso 0 dist 7.14849 14.0459 7.17202 14.3001 8.81551 5.18005 6.72936 4.92088 9.79302 8.65097 numMergedOcc 0
29 mol 178 unq 2 iso 1 dist 7.14849 14.3001 8.81551 14.0459 7.17202 5.18005 6.72936 4.92088 8.65097 9.79302 numMergedOcc 0
30 mol 178 unq 3 iso 0 dist 8.63718 11.5509 6.69288 7.31401 6.43573 5.34677 9.74054 4.92088 10.1489 8.27339 numMergedOcc 0
31 mol 178 unq 3 iso 1 dist 8.63718 7.31401 6.43573 11.5509 6.69288 5.34677 9.74054 4.92088 8.27339 10.1489 numMergedOcc 0
32 mol 178 unq 4 iso 0 dist 8.63718 11.5509 6.69288 5.91018 7.17202 11.7381 9.74054 4.92088 10.1489 9.79302 numMergedOcc 0
33 mol 178 unq 4 iso 1 dist 8.63718 5.91018 7.17202 11.5509 6.69288 11.7381 9.74054 4.92088 9.79302 10.1489 numMergedOcc 0
34 mol 178 unq 5 iso 0 dist 8.63718 11.5509 6.69288 4.92895 8.81551 14.0703 9.74054 4.92088 10.1489 8.65097 numMergedOcc 0
35 mol 178 unq 5 iso 1 dist 8.63718 4.92895 8.81551 11.5509 6.69288 14.0703 9.74054 4.92088 8.65097 10.1489 numMergedOcc 0
36 mol 178 unq 4 iso 0 dist 8.63718 7.31401 6.43573 5.91018 7.17202 9.89739 9.74054 4.92088 8.27339 9.79302 numMergedOcc 0
37 mol 178 unq 4 iso 1 dist 8.63718 5.91018 7.17202 7.31401 6.43573 9.89739 9.74054 4.92088 9.79302 8.27339 numMergedOcc 0
38 mol 178 unq 5 iso 0 dist 8.63718 7.31401 6.43573 4.92895 8.81551 10.5529 9.74054 4.92088 8.27339 8.65097 numMergedOcc 0
39 mol 178 unq 5 iso 1 dist 8.63718 4.92895 8.81551 7.31401 6.43573 10.5529 9.74054 4.92088 8.65097 8.27339 numMergedOcc 0
40 mol 178 unq 5 iso 0 dist 8.63718 5.91018 7.17202 4.92895 8.81551 5.18005 9.74054 4.92088 9.79302 8.65097 numMergedOcc 0
41 mol 178 unq 5 iso 1 dist 8.63718 4.92895 8.81551 5.91018 7.17202 5.18005 9.74054 4.92088 8.65097 9.79302 numMergedOcc 0
42 mol 181 unq 0 iso 0 dist 7.15963 14.1493 9.1374 6.73556 5.98885 8.88798 4.41466 6.51749 13.8722 5.93488 numMergedOcc 0
43 mol 181 unq 0 iso 1 dist 7.15963 6.73556 5.98885 14.1493 9.1374 8.88798 4.41466 6.51749 5.93488 13.8722 numMergedOcc 0
44 mol 181 unq 1 iso 0 dist 7.15963 14.1493 9.1374 5.49666 9.15386 12.1628 4.41466 6.51749 13.8722 7.64267 numMergedOcc 0
45 mol 181 unq 1 iso 1 dist 7.15963 5.49666 9.15386 14.1493 9.1374 12.1628 4.41466 6.51749 7.64267 13.8722 numMergedOcc 0
46 mol 181 unq 1 iso 0 dist 7.15963 6.73556 5.98885 5.49666 9.15386 5.16002 4.41466 6.51749 5.93488 7.64267 numMergedOcc 0
47 mol 181 unq 1 iso 1 dist 7.15963 5.49666 9.15386 6.73556 5.98885 5.16002 4.41466 6.51749 7.64267 5.93488 numMergedOcc 0
48 mol 204 unq 0 iso 0 dist 6.20646 5.21426 7.10633 8.35604 8.51516 10.8344 8.75405 6.85441 8.17229 5.74707 numMergedOcc 0
49 mol 204 unq 0 iso 1 dist 6.20646 8.35604 8.51516 5.21426 7.10633 10.8344 8.75405 6.85441 5.74707 8.17229 numMergedOcc 0
50 mol 204 unq 1 iso 0 dist 6.73266 5.57112 7.10633 12.1292 8.51516 10.8344 7.32929 6.85441 8.17229 5.74707 numMergedOcc 0
51 mol 204 unq 1 iso 1 dist 6.73266 12.1292 8.51516 5.57112 7.10633 10.8344 7.32929 6.85441 5.74707 8.17229 numMergedOcc 0
52 mol 206 unq 0 iso 0 dist 7.51923 5.39127 8.02137 5.1071 9.774 10.4 7.21122 8.70977 6.3188 9.9412 numMergedOcc 0
53 mol 206 unq 0 iso 1 dist 7.51923 5.1071 9.774 5.39127 8.02137 10.4 7.21122 8.70977 9.9412 6.3188 numMergedOcc 0
54 mol 234 unq 0 iso 0 dist 6.15754 11.8245 8.34494 12.4455 6.56247 6.29886 14.1265 8.24186 11.7705 5.63086 numMergedOcc 0
55 mol 234 unq 0 iso 1 dist 6.15754 12.4455 6.56247 11.8245 8.34494 6.29886 14.1265 8.24186 5.63086 11.7705 numMergedOcc 0
56 mol 234 unq 1 iso 0 dist 6.15754 11.8245 8.34494 14.0876 9.36357 12.1694 14.1265 8.24186 11.7705 5.6819 numMergedOcc 0
57 mol 234 unq 1 iso 1 dist 6.15754 14.0876 9.36357 11.8245 8.34494 12.1694 14.1265 8.24186 5.6819 11.7705 numMergedOcc 0
58 mol 234 unq 1 iso 0 dist 6.15754 12.4455 6.56247 14.0876 9.36357 7.82322 14.1265 8.24186 5.63086 5.6819 numMergedOcc 0
59 mol 234 unq 1 iso 1 dist 6.15754 14.0876 9.36357 12.4455 6.56247 7.82322 14.1265 8.24186 5.6819 5.63086 numMergedOcc 0
60 mol 234 unq 2 iso 0 dist 6.6281 6.65785 8.34494 10.0624 6.56247 6.29886 14.0259 8.24186 11.7705 5.63086 numMergedOcc 0
61 mol 234 unq 2 iso 1 dist 6.6281 10.0624 6.56247 6.65785 8.34494 6.29886 14.0259 8.24186 5.63086 11.7705 numMergedOcc 0
62 mol 234 unq 3 iso 0 dist 6.6281 6.65785 8.34494 13.9869 9.36357 12.1694 14.0259 8.24186 11.7705 5.6819 numMergedOcc 0
63 mol 234 unq 3 iso 1 dist 6.6281 13.9869 9.36357 6.65785 8.34494 12.1694 14.0259 8.24186 5.6819 11.7705 numMergedOcc 0
64 mol 234 unq 3 iso 0 dist 6.6281 10.0624 6.56247 13.9869 9.36357 7.82322 14.0259 8.24186 5.63086 5.6819 numMergedOcc 0
65 mol 234 unq 3 iso 1 dist 6.6281 13.9869 9.36357 10.0624 6.56247 7.82322 14.0259 8.24186 5.6819 5.63086 numMergedOcc 0
66 mol 234 unq 4 iso 0 dist 8.9413 12.4455 9.45496 14.0876 6.7625 7.82322 14.1265 7.5366 5.63086 5.6819 numMergedOcc 0
67 mol 234 unq 4 iso 1 dist 8.9413 14.0876 6.7625 12.4455 9.45496 7.82322 14.1265 7.5366 5.6819 5.63086 numMergedOcc 0
68 mol 234 unq 5 iso 0 dist 4.91961 11.5103 9.45496 4.98993 6.7625 7.82322 8.3084 7.5366 5.63086 5.6819 numMergedOcc 0
69 mol 234 unq 5 iso 1 dist 4.91961 4.98993 6.7625 11.5103 9.45496 7.82322 8.3084 7.5366 5.6819 5.63086 numMergedOcc 0
70 mol 236 unq 0 iso 0 dist 5.99137 13.7629 9.81562 13.3575 7.68742 5.79505 10.968 8.50331 7.22918 9.05842 numMergedOcc 0
71 mol 236 unq 0 iso 1 dist 5.99137 13.3575 7.68742 13.7629 9.81562 5.79505 10.968 8.50331 9.05842 7.22918 numMergedOcc 0
72 mol 236 unq 1 iso 0 dist 5.99137 13.7629 9.81562 5.03598 6.27581 9.90963 10.968 8.50331 7.22918 7.00028 numMergedOcc 0
73 mol 236 unq 1 iso 1 dist 5.99137 5.03598 6.27581 13.7629 9.81562 9.90963 10.968 8.50331 7.00028 7.22918 numMergedOcc 0
74 mol 236 unq 1 iso 0 dist 5.99137 13.3575 7.68742 5.03598 6.27581 11.3368 10.968 8.50331 9.05842 7.00028 numMergedOcc 0
75 mol 236 unq 1 iso 1 dist 5.99137 5.03598 6.27581 13.3575 7.68742 11.3368 10.968 8.50331 7.00028 9.05842 numMergedOcc 0
76 mol 238 unq 0 iso 0 dist 5.99187 5.74685 6.22714 5.87189 7.31233 5.34096 8.22473 5.64181 10.216 7.83352 numMergedOcc 0
77 mol 238 unq 0 iso 1 dist 5.99187 5.87189 7.31233 5.74685 6.22714 5.34096 8.22473 5.64181 7.83352 10.216 numMergedOcc 0
