0 mol 16 unq 0 iso 0 dist 6.72833 6.86055 5.94982 4.7319 6.51133 7.65889 11.0958 5.30082 6.42835 10.2656 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 6.72833 6.86055 5.94982 11.0958 5.30082 6.42835 4.7319 6.51133 7.65889 10.2656 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 6.93532 5.01101 5.94982 11.6856 6.51133 7.65889 5.05803 5.30082 6.42835 10.2656 numMergedOcc 0
3 mol 16 unq 1 iso 1 dist 6.93532 5.01101 5.94982 5.05803 5.30082 6.42835 11.6856 6.51133 7.65889 10.2656 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.87757 13.6145 6.53269 11.9561 6.08585 9.48085 5.04899 5.77929 9.49421 10.9391 numMergedOcc 0
5 mol 25 unq 0 iso 1 dist 8.87757 13.6145 6.53269 5.04899 5.77929 9.49421 11.9561 6.08585 9.48085 10.9391 numMergedOcc 0
6 mol 25 unq 1 iso 0 dist 8.50222 5.18617 6.53269 7.57578 6.08585 9.48085 12.7009 5.77929 9.49421 10.9391 numMergedOcc 0
7 mol 25 unq 1 iso 1 dist 8.50222 5.18617 6.53269 12.7009 5.77929 9.49421 7.57578 6.08585 9.48085 10.9391 numMergedOcc 0
8 mol 25 unq 2 iso 0 dist 7.55264 5.68041 6.53269 7.17969 6.08585 9.48085 12.8117 5.77929 9.49421 10.9391 numMergedOcc 0
9 mol 25 unq 2 iso 1 dist 7.55264 5.68041 6.53269 12.8117 5.77929 9.49421 7.17969 6.08585 9.48085 10.9391 numMergedOcc 0
10 mol 58 unq 0 iso 0 dist 8.80614 9.87158 9.01564 6.62496 9.95364 9.22598 6.35756 5.49591 8.96727 4.81926 numMergedOcc 0
11 mol 58 unq 0 iso 1 dist 8.80614 9.87158 9.01564 6.35756 5.49591 8.96727 6.62496 9.95364 9.22598 4.81926 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 9.24757 5.70116 6.14542 9.96396 5.11416 9.73086 6.19304 6.56633 7.4369 5.4148 numMergedOcc 0
13 mol 73 unq 0 iso 1 dist 9.24757 5.70116 6.14542 6.19304 6.56633 7.4369 9.96396 5.11416 9.73086 5.4148 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 6.65501 10.4782 8.46823 17.4071 16.4267 9.64383 6.10456 9.67482 7.54889 13.659 numMergedOcc 0
15 mol 98 unq 0 iso 1 dist 6.65501 10.4782 8.46823 6.10456 9.67482 7.54889 17.4071 16.4267 9.64383 13.659 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 6.65501 10.4782 8.46823 17.4071 16.4267 9.64383 10.1136 12.0974 7.78931 14.591 numMergedOcc 0
17 mol 98 unq 1 iso 1 dist 6.65501 10.4782 8.46823 10.1136 12.0974 7.78931 17.4071 16.4267 9.64383 14.591 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 6.65501 10.4782 8.46823 6.10456 9.67482 7.54889 10.1136 12.0974 7.78931 5.02887 numMergedOcc 0
19 mol 98 unq 1 iso 1 dist 6.65501 10.4782 8.46823 10.1136 12.0974 7.78931 6.10456 9.67482 7.54889 5.02887 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 6.65501 3.9764 4.62494 5.08437 4.4057 5.10496 6.48948 7.42446 5.92242 9.51923 numMergedOcc 0
21 mol 98 unq 2 iso 1 dist 6.65501 3.9764 4.62494 6.48948 7.42446 5.92242 5.08437 4.4057 5.10496 9.51923 numMergedOcc 0
22 mol 98 unq 3 iso 0 dist 6.65501 3.9764 4.62494 5.08437 4.4057 5.10496 6.10456 9.67482 5.2571 8.40073 numMergedOcc 0
23 mol 98 unq 3 iso 1 dist 6.65501 3.9764 4.62494 6.10456 9.67482 5.2571 5.08437 4.4057 5.10496 8.40073 numMergedOcc 0
24 mol 98 unq 4 iso 0 dist 6.65501 3.9764 4.62494 5.08437 4.4057 5.10496 10.1136 12.0974 8.7497 10.2427 numMergedOcc 0
25 mol 98 unq 4 iso 1 dist 6.65501 3.9764 4.62494 10.1136 12.0974 8.7497 5.08437 4.4057 5.10496 10.2427 numMergedOcc 0
26 mol 98 unq 3 iso 0 dist 6.65501 3.9764 4.62494 6.48948 7.42446 5.92242 6.10456 9.67482 5.2571 9.42358 numMergedOcc 0
27 mol 98 unq 3 iso 1 dist 6.65501 3.9764 4.62494 6.10456 9.67482 5.2571 6.48948 7.42446 5.92242 9.42358 numMergedOcc 0
28 mol 98 unq 4 iso 0 dist 6.65501 3.9764 4.62494 6.48948 7.42446 5.92242 10.1136 12.0974 8.7497 13.9786 numMergedOcc 0
29 mol 98 unq 4 iso 1 dist 6.65501 3.9764 4.62494 10.1136 12.0974 8.7497 6.48948 7.42446 5.92242 13.9786 numMergedOcc 0
30 mol 98 unq 4 iso 0 dist 6.65501 3.9764 4.62494 6.10456 9.67482 5.2571 10.1136 12.0974 8.7497 5.02887 numMergedOcc 0
31 mol 98 unq 4 iso 1 dist 6.65501 3.9764 4.62494 10.1136 12.0974 8.7497 6.10456 9.67482 5.2571 5.02887 numMergedOcc 0
32 mol 100 unq 0 iso 0 dist 7.01812 4.03277 6.59691 9.60661 5.80144 8.91882 10.1489 5.42531 9.21662 10.8375 numMergedOcc 0
33 mol 100 unq 0 iso 1 dist 7.01812 4.03277 6.59691 10.1489 5.42531 9.21662 9.60661 5.80144 8.91882 10.8375 numMergedOcc 0
34 mol 100 unq 1 iso 0 dist 8.30845 6.23008 6.59691 6.65086 5.80144 8.91882 13.2001 5.42531 9.21662 10.8375 numMergedOcc 0
35 mol 100 unq 1 iso 1 dist 8.30845 6.23008 6.59691 13.2001 5.42531 9.21662 6.65086 5.80144 8.91882 10.8375 numMergedOcc 0
36 mol 109 unq 0 iso 0 dist 7.80523 5.00433 7.56755 13.1098 10.0688 9.89083 8.69985 7.74599 8.52024 7.15843 numMergedOcc 0
37 mol 109 unq 0 iso 1 dist 7.80523 5.00433 7.56755 8.69985 7.74599 8.52024 13.1098 10.0688 9.89083 7.15843 numMergedOcc 0
38 mol 119 unq 0 iso 0 dist 6.73586 4.39676 8.67537 6.18601 5.13589 8.95212 10.1813 10.8661 6.99446 10.9871 numMergedOcc 0
39 mol 119 unq 0 iso 1 dist 6.73586 4.39676 8.67537 10.1813 10.8661 6.99446 6.18601 5.13589 8.95212 10.9871 numMergedOcc 0
40 mol 119 unq 1 iso 0 dist 6.73586 4.39676 8.67537 6.18601 5.13589 8.95212 9.72413 12.0175 7.64052 9.93257 numMergedOcc 0
41 mol 119 unq 1 iso 1 dist 6.73586 4.39676 8.67537 9.72413 12.0175 7.64052 6.18601 5.13589 8.95212 9.93257 numMergedOcc 0
42 mol 119 unq 1 iso 0 dist 6.73586 4.39676 8.67537 10.1813 10.8661 6.99446 9.72413 12.0175 7.64052 4.85907 numMergedOcc 0
43 mol 119 unq 1 iso 1 dist 6.73586 4.39676 8.67537 9.72413 12.0175 7.64052 10.1813 10.8661 6.99446 4.85907 numMergedOcc 0
44 mol 134 unq 0 iso 0 dist 7.69991 12.847 9.0176 13.8307 7.1797 9.66543 11.9139 4.57832 7.21868 5.62899 numMergedOcc 0
45 mol 134 unq 0 iso 1 dist 7.69991 12.847 9.0176 11.9139 4.57832 7.21868 13.8307 7.1797 9.66543 5.62899 numMergedOcc 0
46 mol 134 unq 1 iso 0 dist 7.69991 12.847 9.0176 13.8307 7.1797 9.66543 9.5126 5.29786 7.93372 10.7144 numMergedOcc 0
47 mol 134 unq 1 iso 1 dist 7.69991 12.847 9.0176 9.5126 5.29786 7.93372 13.8307 7.1797 9.66543 10.7144 numMergedOcc 0
48 mol 134 unq 1 iso 0 dist 7.69991 12.847 9.0176 11.9139 4.57832 7.21868 9.5126 5.29786 7.93372 5.49782 numMergedOcc 0
49 mol 134 unq 1 iso 1 dist 7.69991 12.847 9.0176 9.5126 5.29786 7.93372 11.9139 4.57832 7.21868 5.49782 numMergedOcc 0
50 mol 134 unq 2 iso 0 dist 6.23142 8.06642 9.0176 11.7385 7.1797 9.66543 8.94367 4.57832 7.21868 5.62899 numMergedOcc 0
51 mol 134 unq 2 iso 1 dist 6.23142 8.06642 9.0176 8.94367 4.57832 7.21868 11.7385 7.1797 9.66543 5.62899 numMergedOcc 0
52 mol 134 unq 3 iso 0 dist 6.23142 8.06642 9.0176 11.7385 7.1797 9.66543 6.37586 5.29786 7.93372 10.7144 numMergedOcc 0
53 mol 134 unq 3 iso 1 dist 6.23142 8.06642 9.0176 6.37586 5.29786 7.93372 11.7385 7.1797 9.66543 10.7144 numMergedOcc 0
54 mol 134 unq 3 iso 0 dist 6.23142 8.06642 9.0176 8.94367 4.57832 7.21868 6.37586 5.29786 7.93372 5.49782 numMergedOcc 0
55 mol 134 unq 3 iso 1 dist 6.23142 8.06642 9.0176 6.37586 5.29786 7.93372 8.94367 4.57832 7.21868 5.49782 numMergedOcc 0
56 mol 134 unq 4 iso 0 dist 9.94764 4.00092 9.0176 11.3835 7.1797 9.66543 9.86662 4.57832 7.21868 5.62899 numMergedOcc 0
57 mol 134 unq 4 iso 1 dist 9.94764 4.00092 9.0176 9.86662 4.57832 7.21868 11.3835 7.1797 9.66543 5.62899 numMergedOcc 0
58 mol 134 unq 5 iso 0 dist 9.94764 4.00092 9.0176 11.3835 7.1797 9.66543 9.71307 5.29786 7.93372 10.7144 numMergedOcc 0
59 mol 134 unq 5 iso 1 dist 9.94764 4.00092 9.0176 9.71307 5.29786 7.93372 11.3835 7.1797 9.66543 10.7144 numMergedOcc 0
60 mol 134 unq 5 iso 0 dist 9.94764 4.00092 9.0176 9.86662 4.57832 7.21868 9.71307 5.29786 7.93372 5.49782 numMergedOcc 0
61 mol 134 unq 5 iso 1 dist 9.94764 4.00092 9.0176 9.71307 5.29786 7.93372 9.86662 4.57832 7.21868 5.49782 numMergedOcc 0
62 mol 170 unq 0 iso 0 dist 9.10511 4.12764 6.47164 11.8841 9.275 9.08274 12.8696 4.34698 9.51256 8.56034 numMergedOcc 0
63 mol 170 unq 0 iso 1 dist 9.10511 4.12764 6.47164 12.8696 4.34698 9.51256 11.8841 9.275 9.08274 8.56034 numMergedOcc 0
64 mol 170 unq 1 iso 0 dist 6.35982 4.78249 6.47164 12.8281 9.275 9.08274 9.76807 4.34698 9.51256 8.56034 numMergedOcc 0
65 mol 170 unq 1 iso 1 dist 6.35982 4.78249 6.47164 9.76807 4.34698 9.51256 12.8281 9.275 9.08274 8.56034 numMergedOcc 0
66 mol 170 unq 2 iso 0 dist 7.51126 4.78249 9.65126 12.8281 12.5696 9.08274 9.76807 5.75144 9.51256 8.56034 numMergedOcc 0
67 mol 170 unq 2 iso 1 dist 7.51126 4.78249 9.65126 9.76807 5.75144 9.51256 12.8281 12.5696 9.08274 8.56034 numMergedOcc 0
68 mol 181 unq 0 iso 0 dist 6.46704 6.50233 7.35884 8.03334 4.43096 9.76212 10.9639 6.06566 8.59874 6.01247 numMergedOcc 0
69 mol 181 unq 0 iso 1 dist 6.46704 6.50233 7.35884 10.9639 6.06566 8.59874 8.03334 4.43096 9.76212 6.01247 numMergedOcc 0
70 mol 181 unq 1 iso 0 dist 9.39829 5.71898 5.99437 7.81386 7.20191 9.01624 9.81747 5.48529 5.05973 11.5866 numMergedOcc 0
71 mol 181 unq 1 iso 1 dist 9.39829 5.71898 5.99437 9.81747 5.48529 5.05973 7.81386 7.20191 9.01624 11.5866 numMergedOcc 0
72 mol 181 unq 2 iso 0 dist 6.41453 5.93724 5.99437 7.63312 7.20191 9.01624 9.11469 5.48529 5.05973 11.5866 numMergedOcc 0
73 mol 181 unq 2 iso 1 dist 6.41453 5.93724 5.99437 9.11469 5.48529 5.05973 7.63312 7.20191 9.01624 11.5866 numMergedOcc 0
74 mol 227 unq 0 iso 0 dist 7.43071 5.0317 9.18728 7.22101 6.35849 5.23634 8.65997 10.204 6.91318 5.22356 numMergedOcc 0
75 mol 227 unq 0 iso 1 dist 7.43071 5.0317 9.18728 8.65997 10.204 6.91318 7.22101 6.35849 5.23634 5.22356 numMergedOcc 0
76 mol 227 unq 1 iso 0 dist 5.41321 5.0317 8.91971 7.22101 10.9607 5.23634 8.65997 9.72615 6.91318 5.22356 numMergedOcc 0
77 mol 227 unq 1 iso 1 dist 5.41321 5.0317 8.91971 8.65997 9.72615 6.91318 7.22101 10.9607 5.23634 5.22356 numMergedOcc 0
78 mol 227 unq 2 iso 0 dist 6.02296 5.83175 9.18728 7.09863 6.35849 5.23634 10.8157 10.204 6.91318 5.22356 numMergedOcc 0
79 mol 227 unq 2 iso 1 dist 6.02296 5.83175 9.18728 10.8157 10.204 6.91318 7.09863 6.35849 5.23634 5.22356 numMergedOcc 0
80 mol 229 unq 0 iso 0 dist 8.66332 5.70473 9.37336 8.22528 6.65022 7.27993 11.3979 5.42069 9.51168 5.1556 numMergedOcc 0
81 mol 229 unq 0 iso 1 dist 8.66332 5.70473 9.37336 11.3979 5.42069 9.51168 8.22528 6.65022 7.27993 5.1556 numMergedOcc 0
82 mol 229 unq 1 iso 0 dist 8.66332 5.70473 9.37336 8.22528 6.65022 7.27993 11.7165 10.2411 6.95201 7.0298 numMergedOcc 0
83 mol 229 unq 1 iso 1 dist 8.66332 5.70473 9.37336 11.7165 10.2411 6.95201 8.22528 6.65022 7.27993 7.0298 numMergedOcc 0
84 mol 229 unq 1 iso 0 dist 8.66332 5.70473 9.37336 11.3979 5.42069 9.51168 11.7165 10.2411 6.95201 6.54885 numMergedOcc 0
85 mol 229 unq 1 iso 1 dist 8.66332 5.70473 9.37336 11.7165 10.2411 6.95201 11.3979 5.42069 9.51168 6.54885 numMergedOcc 0
86 mol 234 unq 0 iso 0 dist 7.32499 13.1872 7.77911 10.3625 10.0059 7.81215 11.0622 5.08515 5.64285 10.2693 numMergedOcc 0
87 mol 234 unq 0 iso 1 dist 7.32499 13.1872 7.77911 11.0622 5.08515 5.64285 10.3625 10.0059 7.81215 10.2693 numMergedOcc 0
