0 mol 0 unq 0 iso 0 dist 9.6994 9.23213 5.08793 8.81979 5.63197 9.14029 7.40865 9.11323 9.30151 6.11501 numMergedOcc 0
1 mol 0 unq 0 iso 1 dist 9.6994 8.81979 5.63197 9.23213 5.08793 9.14029 7.40865 9.11323 6.11501 9.30151 numMergedOcc 0
2 mol 0 unq 1 iso 0 dist 7.15528 9.23213 10.4498 8.81979 5.52201 9.14029 7.40865 9.46298 9.30151 6.11501 numMergedOcc 0
3 mol 0 unq 1 iso 1 dist 7.15528 8.81979 5.52201 9.23213 10.4498 9.14029 7.40865 9.46298 6.11501 9.30151 numMergedOcc 0
4 mol 9 unq 0 iso 0 dist 8.57077 6.85412 8.27962 6.33889 11.4878 5.80437 9.62394 9.5997 4.45625 6.0397 numMergedOcc 0
5 mol 9 unq 0 iso 1 dist 8.57077 6.33889 11.4878 6.85412 8.27962 5.80437 9.62394 9.5997 6.0397 4.45625 numMergedOcc 0
6 mol 19 unq 0 iso 0 dist 7.20519 8.78293 5.31524 8.23643 11.0832 12.7954 7.75618 4.96411 6.2337 14.4867 numMergedOcc 0
7 mol 19 unq 0 iso 1 dist 7.20519 8.23643 11.0832 8.78293 5.31524 12.7954 7.75618 4.96411 14.4867 6.2337 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 7.20519 8.78293 5.31524 7.82528 10.4988 14.7664 7.75618 4.96411 6.2337 11.4087 numMergedOcc 0
9 mol 19 unq 1 iso 1 dist 7.20519 7.82528 10.4988 8.78293 5.31524 14.7664 7.75618 4.96411 11.4087 6.2337 numMergedOcc 0
10 mol 19 unq 1 iso 0 dist 7.20519 8.23643 11.0832 7.82528 10.4988 11.0033 7.75618 4.96411 14.4867 11.4087 numMergedOcc 0
11 mol 19 unq 1 iso 1 dist 7.20519 7.82528 10.4988 8.23643 11.0832 11.0033 7.75618 4.96411 11.4087 14.4867 numMergedOcc 0
12 mol 19 unq 2 iso 0 dist 4.54938 8.78293 10.9543 8.23643 6.55187 12.7954 7.75618 9.74255 6.2337 14.4867 numMergedOcc 0
13 mol 19 unq 2 iso 1 dist 4.54938 8.23643 6.55187 8.78293 10.9543 12.7954 7.75618 9.74255 14.4867 6.2337 numMergedOcc 0
14 mol 19 unq 3 iso 0 dist 4.54938 8.78293 10.9543 7.82528 5.14627 14.7664 7.75618 9.74255 6.2337 11.4087 numMergedOcc 0
15 mol 19 unq 3 iso 1 dist 4.54938 7.82528 5.14627 8.78293 10.9543 14.7664 7.75618 9.74255 11.4087 6.2337 numMergedOcc 0
16 mol 19 unq 3 iso 0 dist 4.54938 8.23643 6.55187 7.82528 5.14627 11.0033 7.75618 9.74255 14.4867 11.4087 numMergedOcc 0
17 mol 19 unq 3 iso 1 dist 4.54938 7.82528 5.14627 8.23643 6.55187 11.0033 7.75618 9.74255 11.4087 14.4867 numMergedOcc 0
18 mol 19 unq 4 iso 0 dist 6.864 8.78293 11.4401 8.23643 12.3093 12.7954 7.75618 7.08342 6.2337 14.4867 numMergedOcc 0
19 mol 19 unq 4 iso 1 dist 6.864 8.23643 12.3093 8.78293 11.4401 12.7954 7.75618 7.08342 14.4867 6.2337 numMergedOcc 0
20 mol 19 unq 5 iso 0 dist 6.864 8.78293 11.4401 7.82528 4.69858 14.7664 7.75618 7.08342 6.2337 11.4087 numMergedOcc 0
21 mol 19 unq 5 iso 1 dist 6.864 7.82528 4.69858 8.78293 11.4401 14.7664 7.75618 7.08342 11.4087 6.2337 numMergedOcc 0
22 mol 19 unq 5 iso 0 dist 6.864 8.23643 12.3093 7.82528 4.69858 11.0033 7.75618 7.08342 14.4867 11.4087 numMergedOcc 0
23 mol 19 unq 5 iso 1 dist 6.864 7.82528 4.69858 8.23643 12.3093 11.0033 7.75618 7.08342 11.4087 14.4867 numMergedOcc 0
24 mol 119 unq 0 iso 0 dist 6.18601 9.80862 9.35964 8.43904 10.3457 4.84196 6.73586 5.13589 4.95807 7.39626 numMergedOcc 0
25 mol 119 unq 0 iso 1 dist 6.18601 8.43904 10.3457 9.80862 9.35964 4.84196 6.73586 5.13589 7.39626 4.95807 numMergedOcc 0
26 mol 131 unq 0 iso 0 dist 6.85062 6.91348 6.19596 9.51418 6.6499 10.2027 8.70296 14.2045 9.93183 16.5048 numMergedOcc 0
27 mol 131 unq 0 iso 1 dist 6.85062 9.51418 6.6499 6.91348 6.19596 10.2027 8.70296 14.2045 16.5048 9.93183 numMergedOcc 0
28 mol 131 unq 1 iso 0 dist 6.85062 6.91348 6.19596 9.51418 6.6499 10.2027 9.25558 5.09131 5.90177 5.70899 numMergedOcc 0
29 mol 131 unq 1 iso 1 dist 6.85062 9.51418 6.6499 6.91348 6.19596 10.2027 9.25558 5.09131 5.70899 5.90177 numMergedOcc 0
30 mol 155 unq 0 iso 0 dist 6.43582 9.38946 12.8482 7.36102 8.27726 5.68272 7.92304 5.50031 9.50478 5.50045 numMergedOcc 0
31 mol 155 unq 0 iso 1 dist 6.43582 7.36102 8.27726 9.38946 12.8482 5.68272 7.92304 5.50031 5.50045 9.50478 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 9.1374 6.94688 6.25083 6.71012 4.77278 5.3528 8.90963 8.91338 4.43678 6.03415 numMergedOcc 0
33 mol 181 unq 0 iso 1 dist 9.1374 6.71012 4.77278 6.94688 6.25083 5.3528 8.90963 8.91338 6.03415 4.43678 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 5.98885 6.94688 5.86342 6.71012 9.14057 5.3528 8.90963 9.81073 4.43678 6.03415 numMergedOcc 0
35 mol 181 unq 1 iso 1 dist 5.98885 6.71012 9.14057 6.94688 5.86342 5.3528 8.90963 9.81073 6.03415 4.43678 numMergedOcc 0
36 mol 181 unq 2 iso 0 dist 5.98885 7.20046 5.4601 7.13543 10.0524 6.33699 9.72611 5.6044 9.87435 14.6648 numMergedOcc 0
37 mol 181 unq 2 iso 1 dist 5.98885 7.13543 10.0524 7.20046 5.4601 6.33699 9.72611 5.6044 14.6648 9.87435 numMergedOcc 0
38 mol 181 unq 3 iso 0 dist 5.98885 7.20046 5.4601 7.13543 10.0524 6.33699 7.99195 6.6251 4.69841 7.23063 numMergedOcc 0
39 mol 181 unq 3 iso 1 dist 5.98885 7.13543 10.0524 7.20046 5.4601 6.33699 7.99195 6.6251 7.23063 4.69841 numMergedOcc 0
40 mol 181 unq 4 iso 0 dist 9.09537 7.20046 6.14208 7.13543 5.95965 6.33699 9.72611 12.9468 9.87435 14.6648 numMergedOcc 0
41 mol 181 unq 4 iso 1 dist 9.09537 7.13543 5.95965 7.20046 6.14208 6.33699 9.72611 12.9468 14.6648 9.87435 numMergedOcc 0
42 mol 181 unq 5 iso 0 dist 9.09537 7.20046 6.14208 7.13543 5.95965 6.33699 7.99195 10.09 4.69841 7.23063 numMergedOcc 0
43 mol 181 unq 5 iso 1 dist 9.09537 7.13543 5.95965 7.20046 6.14208 6.33699 7.99195 10.09 7.23063 4.69841 numMergedOcc 0
44 mol 181 unq 6 iso 0 dist 9.15386 6.94688 6.80228 6.71012 11.6919 5.3528 8.90963 9.34211 4.43678 6.03415 numMergedOcc 0
45 mol 181 unq 6 iso 1 dist 9.15386 6.71012 11.6919 6.94688 6.80228 5.3528 8.90963 9.34211 6.03415 4.43678 numMergedOcc 0
46 mol 181 unq 7 iso 0 dist 7.81386 7.98142 9.53462 7.37327 11.1462 6.46849 5.94469 7.77758 8.93991 5.35588 numMergedOcc 0
47 mol 181 unq 7 iso 1 dist 7.81386 7.37327 11.1462 7.98142 9.53462 6.46849 5.94469 7.77758 5.35588 8.93991 numMergedOcc 0
48 mol 181 unq 8 iso 0 dist 7.63312 7.98142 9.60512 7.37327 13.3389 6.46849 5.94469 12.5387 8.93991 5.35588 numMergedOcc 0
49 mol 181 unq 8 iso 1 dist 7.63312 7.37327 13.3389 7.98142 9.60512 6.46849 5.94469 12.5387 5.35588 8.93991 numMergedOcc 0
50 mol 197 unq 0 iso 0 dist 8.56633 8.99696 9.82139 7.85058 8.72637 14.5931 7.50013 8.46623 11.1666 5.53129 numMergedOcc 0
51 mol 197 unq 0 iso 1 dist 8.56633 7.85058 8.72637 8.99696 9.82139 14.5931 7.50013 8.46623 5.53129 11.1666 numMergedOcc 0
52 mol 197 unq 1 iso 0 dist 8.56633 8.99696 9.82139 7.85058 8.72637 14.5931 5.81233 10.7305 13.3562 4.38296 numMergedOcc 0
53 mol 197 unq 1 iso 1 dist 8.56633 7.85058 8.72637 8.99696 9.82139 14.5931 5.81233 10.7305 4.38296 13.3562 numMergedOcc 0
54 mol 197 unq 2 iso 0 dist 8.56633 8.99696 9.82139 7.85058 8.72637 14.5931 6.92924 5.41996 4.59269 11.3267 numMergedOcc 0
55 mol 197 unq 2 iso 1 dist 8.56633 7.85058 8.72637 8.99696 9.82139 14.5931 6.92924 5.41996 11.3267 4.59269 numMergedOcc 0
56 mol 197 unq 3 iso 0 dist 8.56633 8.99696 9.82139 7.85058 8.72637 14.5931 7.14306 6.64537 12.9766 8.05362 numMergedOcc 0
57 mol 197 unq 3 iso 1 dist 8.56633 7.85058 8.72637 8.99696 9.82139 14.5931 7.14306 6.64537 8.05362 12.9766 numMergedOcc 0
58 mol 197 unq 4 iso 0 dist 8.56633 8.99696 9.82139 9.96638 5.69148 8.44549 7.50013 8.46623 11.1666 6.46195 numMergedOcc 0
59 mol 197 unq 4 iso 1 dist 8.56633 9.96638 5.69148 8.99696 9.82139 8.44549 7.50013 8.46623 6.46195 11.1666 numMergedOcc 0
60 mol 197 unq 5 iso 0 dist 8.56633 8.99696 9.82139 9.96638 5.69148 8.44549 5.81233 10.7305 13.3562 11.0356 numMergedOcc 0
61 mol 197 unq 5 iso 1 dist 8.56633 9.96638 5.69148 8.99696 9.82139 8.44549 5.81233 10.7305 11.0356 13.3562 numMergedOcc 0
62 mol 197 unq 6 iso 0 dist 8.56633 8.99696 9.82139 9.96638 5.69148 8.44549 6.92924 5.41996 4.59269 6.31157 numMergedOcc 0
63 mol 197 unq 6 iso 1 dist 8.56633 9.96638 5.69148 8.99696 9.82139 8.44549 6.92924 5.41996 6.31157 4.59269 numMergedOcc 0
64 mol 197 unq 7 iso 0 dist 8.56633 8.99696 9.82139 9.96638 5.69148 8.44549 7.14306 6.64537 12.9766 11.5276 numMergedOcc 0
65 mol 197 unq 7 iso 1 dist 8.56633 9.96638 5.69148 8.99696 9.82139 8.44549 7.14306 6.64537 11.5276 12.9766 numMergedOcc 0
66 mol 197 unq 4 iso 0 dist 8.56633 7.85058 8.72637 9.96638 5.69148 10.0338 7.50013 8.46623 5.53129 6.46195 numMergedOcc 0
67 mol 197 unq 4 iso 1 dist 8.56633 9.96638 5.69148 7.85058 8.72637 10.0338 7.50013 8.46623 6.46195 5.53129 numMergedOcc 0
68 mol 197 unq 5 iso 0 dist 8.56633 7.85058 8.72637 9.96638 5.69148 10.0338 5.81233 10.7305 4.38296 11.0356 numMergedOcc 0
69 mol 197 unq 5 iso 1 dist 8.56633 9.96638 5.69148 7.85058 8.72637 10.0338 5.81233 10.7305 11.0356 4.38296 numMergedOcc 0
70 mol 197 unq 6 iso 0 dist 8.56633 7.85058 8.72637 9.96638 5.69148 10.0338 6.92924 5.41996 11.3267 6.31157 numMergedOcc 0
71 mol 197 unq 6 iso 1 dist 8.56633 9.96638 5.69148 7.85058 8.72637 10.0338 6.92924 5.41996 6.31157 11.3267 numMergedOcc 0
72 mol 197 unq 7 iso 0 dist 8.56633 7.85058 8.72637 9.96638 5.69148 10.0338 7.14306 6.64537 8.05362 11.5276 numMergedOcc 0
73 mol 197 unq 7 iso 1 dist 8.56633 9.96638 5.69148 7.85058 8.72637 10.0338 7.14306 6.64537 11.5276 8.05362 numMergedOcc 0
74 mol 239 unq 0 iso 0 dist 7.00034 7.39747 6.26168 8.1777 5.39146 4.89061 9.01021 10.0842 5.2908 5.91881 numMergedOcc 0
75 mol 239 unq 0 iso 1 dist 7.00034 8.1777 5.39146 7.39747 6.26168 4.89061 9.01021 10.0842 5.91881 5.2908 numMergedOcc 0
76 mol 264 unq 0 iso 0 dist 9.361 9.0012 9.74238 9.5784 9.85579 6.20393 7.16853 11.1431 9.76317 13.9064 numMergedOcc 0
77 mol 264 unq 0 iso 1 dist 9.361 9.5784 9.85579 9.0012 9.74238 6.20393 7.16853 11.1431 13.9064 9.76317 numMergedOcc 0
78 mol 264 unq 1 iso 0 dist 6.24356 9.0012 5.12409 9.5784 9.67998 6.20393 7.16853 5.00209 9.76317 13.9064 numMergedOcc 0
79 mol 264 unq 1 iso 1 dist 6.24356 9.5784 9.67998 9.0012 5.12409 6.20393 7.16853 5.00209 13.9064 9.76317 numMergedOcc 0
