0 mol 8 unq 0 iso 0 dist 9.62879 8.96553 8.4069 7.12261 9.01112 12.536 10.9634 10.9495 12.4076 6.56356 numMergedOcc 0
1 mol 8 unq 1 iso 0 dist 9.62879 8.96553 8.4069 7.12261 9.01112 12.536 12.4058 6.23795 12.9016 7.62333 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 5.05803 6.31718 6.92781 5.01101 6.42835 11.0298 11.6856 10.2656 16.4761 7.65889 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 7.63133 5.46498 5.32694 9.81307 8.43054 11.1513 12.5273 6.92781 10.7015 6.57331 numMergedOcc 0
4 mol 16 unq 2 iso 0 dist 7.63133 8.71745 10.4155 9.81307 8.43054 16.7405 12.5273 6.92781 16.241 6.57331 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 6.81627 7.32874 5.47421 5.61579 5.38524 8.69057 11.715 5.79773 10.8779 8.66539 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 6.81627 9.55426 9.7274 5.61579 5.38524 13.1897 11.715 5.79773 14.4309 8.66539 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 6.81627 9.55426 9.7274 5.61579 5.38524 13.1897 7.32874 5.47421 5.90225 8.69057 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 7.32874 6.81627 5.47421 5.61579 8.69057 5.38524 11.715 10.8779 5.79773 8.66539 numMergedOcc 0
9 mol 58 unq 4 iso 0 dist 7.32874 9.55426 5.90225 5.61579 8.69057 13.1897 11.715 10.8779 14.4309 8.66539 numMergedOcc 0
10 mol 58 unq 5 iso 0 dist 7.32874 9.55426 5.90225 5.61579 8.69057 13.1897 6.81627 5.47421 9.7274 5.38524 numMergedOcc 0
11 mol 58 unq 6 iso 0 dist 6.62496 6.86465 5.30792 9.87158 9.22598 13.3281 6.35756 4.81926 5.35073 8.96727 numMergedOcc 0
12 mol 58 unq 7 iso 0 dist 6.35756 6.86465 5.35073 9.87158 8.96727 13.3281 6.62496 4.81926 5.30792 9.22598 numMergedOcc 0
13 mol 58 unq 8 iso 0 dist 9.4099 9.55426 10.6169 8.55984 9.08221 15.6595 11.9025 7.5247 11.6716 9.97769 numMergedOcc 0
14 mol 58 unq 9 iso 0 dist 9.4099 9.55426 10.6169 8.55984 9.08221 15.6595 14.7109 10.0658 16.6757 9.32706 numMergedOcc 0
15 mol 60 unq 0 iso 0 dist 6.65595 8.90863 6.54743 7.80499 7.57295 7.48086 11.1899 5.67502 5.00018 8.4312 numMergedOcc 0
16 mol 60 unq 1 iso 0 dist 8.90863 6.65595 6.54743 7.80499 7.48086 7.57295 11.1899 5.00018 5.67502 8.4312 numMergedOcc 0
17 mol 60 unq 2 iso 0 dist 6.43294 8.33063 10.1562 8.62476 7.57295 12.8147 8.7531 5.67502 7.29309 8.4312 numMergedOcc 0
18 mol 60 unq 3 iso 0 dist 6.43294 8.33063 10.1562 8.62476 7.57295 12.8147 11.5843 6.54743 12.2509 7.48086 numMergedOcc 0
19 mol 60 unq 4 iso 0 dist 6.43294 8.7531 5.67502 8.62476 7.57295 8.4312 11.5843 6.54743 5.00018 7.48086 numMergedOcc 0
20 mol 60 unq 5 iso 0 dist 8.7531 8.33063 7.29309 8.62476 8.4312 12.8147 6.43294 5.67502 10.1562 7.57295 numMergedOcc 0
21 mol 60 unq 6 iso 0 dist 8.7531 8.33063 7.29309 8.62476 8.4312 12.8147 11.5843 5.00018 12.2509 7.48086 numMergedOcc 0
22 mol 60 unq 7 iso 0 dist 8.7531 6.43294 5.67502 8.62476 8.4312 7.57295 11.5843 5.00018 6.54743 7.48086 numMergedOcc 0
23 mol 72 unq 0 iso 0 dist 9.96708 9.78528 8.24309 7.47371 7.12321 6.21799 10.8086 5.36766 7.04035 9.74228 numMergedOcc 0
24 mol 72 unq 1 iso 0 dist 9.78528 9.96708 8.24309 7.47371 6.21799 7.12321 10.8086 7.04035 5.36766 9.74228 numMergedOcc 0
25 mol 72 unq 2 iso 0 dist 9.78528 9.96708 8.24309 9.67587 5.03251 9.35457 15.1902 5.8486 10.1538 9.56773 numMergedOcc 0
26 mol 73 unq 0 iso 0 dist 9.96396 8.70481 14.9342 5.70116 9.73086 12.8207 6.19304 5.4148 13.3558 7.4369 numMergedOcc 0
27 mol 73 unq 1 iso 0 dist 6.19304 8.70481 13.3558 5.70116 7.4369 12.8207 9.96396 5.4148 14.9342 9.73086 numMergedOcc 0
28 mol 73 unq 2 iso 0 dist 8.70481 9.96396 14.9342 11.2069 5.5087 13.3207 16.0098 8.07446 18.8875 5.61588 numMergedOcc 0
29 mol 73 unq 3 iso 0 dist 8.70481 9.96396 14.9342 10.6713 6.08682 14.498 16.0098 8.07446 18.8875 7.83244 numMergedOcc 0
30 mol 73 unq 4 iso 0 dist 8.70481 6.19304 13.3558 11.2069 5.5087 13.8368 16.0098 8.07446 19.3309 5.61588 numMergedOcc 0
31 mol 73 unq 5 iso 0 dist 8.70481 6.19304 13.3558 10.6713 6.08682 14.5999 16.0098 8.07446 19.3309 7.83244 numMergedOcc 0
32 mol 88 unq 0 iso 0 dist 9.36773 8.31336 5.57085 12.1193 7.80898 12.785 16.8013 12.1547 17.4556 7.51139 numMergedOcc 0
33 mol 95 unq 0 iso 0 dist 8.03644 7.27724 8.41707 15.6249 8.27883 15.6447 11.3446 6.59884 9.94566 7.7152 numMergedOcc 0
34 mol 98 unq 0 iso 0 dist 5.08437 6.48948 9.51923 3.9764 5.10496 5.92242 6.10456 8.40073 9.42358 5.2571 numMergedOcc 0
35 mol 98 unq 1 iso 0 dist 5.08437 6.48948 9.51923 3.9764 5.10496 5.92242 10.1136 10.2427 13.9786 8.7497 numMergedOcc 0
36 mol 98 unq 2 iso 0 dist 5.08437 6.10456 8.40073 3.9764 5.10496 5.2571 6.48948 9.51923 9.42358 5.92242 numMergedOcc 0
37 mol 98 unq 3 iso 0 dist 5.08437 6.10456 8.40073 3.9764 5.10496 5.2571 10.1136 10.2427 5.02887 8.7497 numMergedOcc 0
38 mol 98 unq 4 iso 0 dist 6.48948 5.08437 9.51923 3.9764 5.92242 5.10496 6.10456 9.42358 8.40073 5.2571 numMergedOcc 0
39 mol 98 unq 5 iso 0 dist 6.48948 5.08437 9.51923 3.9764 5.92242 5.10496 10.1136 13.9786 10.2427 8.7497 numMergedOcc 0
40 mol 98 unq 6 iso 0 dist 6.48948 6.10456 9.42358 3.9764 5.92242 5.2571 5.08437 9.51923 8.40073 5.10496 numMergedOcc 0
41 mol 98 unq 7 iso 0 dist 6.48948 6.10456 9.42358 3.9764 5.92242 5.2571 10.1136 13.9786 5.02887 8.7497 numMergedOcc 0
42 mol 98 unq 8 iso 0 dist 6.10456 5.08437 8.40073 10.4782 7.54889 9.81956 17.4071 13.659 18.6405 9.64383 numMergedOcc 0
43 mol 98 unq 9 iso 0 dist 6.10456 5.08437 8.40073 10.4782 7.54889 9.81956 10.1136 5.02887 10.2427 7.78931 numMergedOcc 0
44 mol 98 unq 10 iso 0 dist 6.10456 5.08437 8.40073 3.9764 5.2571 5.10496 6.48948 9.42358 9.51923 5.92242 numMergedOcc 0
45 mol 98 unq 11 iso 0 dist 6.10456 5.08437 8.40073 3.9764 5.2571 5.10496 10.1136 5.02887 10.2427 8.7497 numMergedOcc 0
46 mol 98 unq 12 iso 0 dist 6.10456 6.48948 9.42358 10.4782 7.54889 10.8223 17.4071 13.659 14.7899 9.64383 numMergedOcc 0
47 mol 98 unq 13 iso 0 dist 6.10456 6.48948 9.42358 10.4782 7.54889 10.8223 10.1136 5.02887 13.9786 7.78931 numMergedOcc 0
48 mol 98 unq 14 iso 0 dist 6.10456 6.48948 9.42358 3.9764 5.2571 5.92242 5.08437 8.40073 9.51923 5.10496 numMergedOcc 0
49 mol 98 unq 15 iso 0 dist 6.10456 6.48948 9.42358 3.9764 5.2571 5.92242 10.1136 5.02887 13.9786 8.7497 numMergedOcc 0
50 mol 100 unq 0 iso 0 dist 9.60661 7.17106 11.5403 4.03277 8.91882 10.5432 10.1489 10.8375 10.8586 9.21662 numMergedOcc 0
51 mol 100 unq 1 iso 0 dist 9.60661 9.35224 7.80879 4.03277 8.91882 11.5088 10.1489 10.8375 15.1999 9.21662 numMergedOcc 0
52 mol 100 unq 2 iso 0 dist 6.65086 7.47343 8.8807 6.23008 8.91882 9.76432 13.2001 10.8375 16.3949 9.21662 numMergedOcc 0
53 mol 100 unq 3 iso 0 dist 6.65086 6.56369 7.80879 6.23008 8.91882 11.5088 13.2001 10.8375 15.1999 9.21662 numMergedOcc 0
54 mol 100 unq 4 iso 0 dist 6.65086 9.30209 5.38414 6.23008 8.91882 11.6812 13.2001 10.8375 11.2306 9.21662 numMergedOcc 0
55 mol 109 unq 0 iso 0 dist 7.34473 8.58044 7 13.0886 7.86666 14.3511 21.5605 17.2949 24.0538 9.77497 numMergedOcc 0
56 mol 109 unq 1 iso 0 dist 7.34473 9.97763 8.40993 13.0886 7.86666 15.7916 21.5605 17.2949 24.4429 9.77497 numMergedOcc 0
57 mol 117 unq 0 iso 0 dist 7.83136 7.90328 7.22206 3.55765 8.19331 10.4223 7.0603 7.21564 9.3584 8.85711 numMergedOcc 0
58 mol 117 unq 1 iso 0 dist 7.0603 7.90328 9.3584 3.55765 8.85711 10.4223 7.83136 7.21564 7.22206 8.19331 numMergedOcc 0
59 mol 133 unq 0 iso 0 dist 7.24514 9.91388 6.761 5.03174 8.26547 12.4934 10.2995 5.61668 8.28069 9.05342 numMergedOcc 0
60 mol 133 unq 1 iso 0 dist 7.24514 9.52634 7.6656 5.03174 8.26547 13.5471 10.2995 5.61668 12.4308 9.05342 numMergedOcc 0
61 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 8.06642 7.21868 7.93372 11.7385 5.62899 10.7144 9.66543 numMergedOcc 0
62 mol 134 unq 1 iso 0 dist 8.94367 6.49416 8.80819 8.06642 7.21868 11.988 11.7385 5.62899 12.8168 9.66543 numMergedOcc 0
63 mol 134 unq 2 iso 0 dist 8.94367 6.49416 8.80819 8.06642 7.21868 11.988 6.37586 5.49782 5.00817 7.93372 numMergedOcc 0
64 mol 134 unq 3 iso 0 dist 6.37586 8.94367 5.49782 8.06642 7.93372 7.21868 11.7385 10.7144 5.62899 9.66543 numMergedOcc 0
65 mol 134 unq 4 iso 0 dist 6.37586 6.49416 5.00817 8.06642 7.93372 11.988 11.7385 10.7144 12.8168 9.66543 numMergedOcc 0
66 mol 134 unq 5 iso 0 dist 6.37586 6.49416 5.00817 8.06642 7.93372 11.988 8.94367 5.49782 8.80819 7.21868 numMergedOcc 0
67 mol 134 unq 6 iso 0 dist 6.49416 6.54501 5.00526 12.3479 9.33094 11.2896 12.5075 6.81259 11.3271 8.69531 numMergedOcc 0
68 mol 134 unq 7 iso 0 dist 9.86662 8.94367 6.81259 12.8086 9.1998 11.0808 15.281 11.6064 10.1584 6.42772 numMergedOcc 0
69 mol 134 unq 8 iso 0 dist 9.86662 8.94367 6.81259 12.8086 9.1998 11.0808 14.0375 7.09823 13.4122 8.70621 numMergedOcc 0
70 mol 134 unq 9 iso 0 dist 9.86662 9.71307 5.49782 4.00092 7.21868 7.93372 11.3835 5.62899 10.7144 9.66543 numMergedOcc 0
71 mol 134 unq 10 iso 0 dist 9.71307 6.37586 6.81259 15.0225 9.1998 11.0808 15.6507 11.6064 10.1584 6.42772 numMergedOcc 0
72 mol 134 unq 11 iso 0 dist 9.71307 6.37586 6.81259 15.0225 9.1998 11.0808 15.9508 7.09823 13.4122 8.70621 numMergedOcc 0
73 mol 134 unq 12 iso 0 dist 9.71307 9.86662 5.49782 4.00092 7.93372 7.21868 11.3835 10.7144 5.62899 9.66543 numMergedOcc 0
74 mol 152 unq 0 iso 0 dist 5.87555 8.87437 5.49936 4.94983 6.70693 10.4895 10.399 7.65448 10.6875 6.59889 numMergedOcc 0
75 mol 152 unq 1 iso 0 dist 8.56324 7.16148 10.6875 5.39112 6.59889 10.4895 6.70283 7.65448 5.49936 6.70693 numMergedOcc 0
76 mol 152 unq 2 iso 0 dist 6.70283 7.16148 5.49936 5.39112 6.70693 10.4895 8.56324 7.65448 10.6875 6.59889 numMergedOcc 0
77 mol 152 unq 3 iso 0 dist 8.67331 8.05741 5.49936 9.67475 6.70693 10.4895 14.1618 7.65448 10.6875 6.59889 numMergedOcc 0
78 mol 181 unq 0 iso 0 dist 9.1374 5.98885 8.88798 12.9532 9.76212 13.2783 9.94371 6.01247 12.6324 8.59874 numMergedOcc 0
79 mol 181 unq 1 iso 0 dist 9.1374 9.15386 12.1628 12.9532 9.76212 18.2853 9.94371 6.01247 16.5106 8.59874 numMergedOcc 0
80 mol 186 unq 0 iso 0 dist 7.54065 9.70748 13.8792 11.0961 6.61112 18.4751 14.4482 7.09479 18.5655 8.90571 numMergedOcc 0
81 mol 186 unq 1 iso 0 dist 7.54065 8.87694 5.74635 11.0961 6.61112 11.456 14.4482 7.09479 10.3628 8.90571 numMergedOcc 0
82 mol 224 unq 0 iso 0 dist 6.61986 9.40098 9.54151 5.13732 8.08349 11.2501 13.4025 10.3613 15.5013 9.78218 numMergedOcc 0
83 mol 224 unq 1 iso 0 dist 6.65832 6.60589 6.77699 5.76843 6.99769 8.79428 9.16166 11.328 8.49799 6.8692 numMergedOcc 0
84 mol 224 unq 2 iso 0 dist 6.65832 9.16166 11.328 5.76843 6.99769 6.8692 6.60589 6.77699 8.49799 8.79428 numMergedOcc 0
85 mol 224 unq 3 iso 0 dist 6.57273 8.95269 4.70378 7.05804 8.79428 13.2325 10.103 6.77699 10.9861 6.99769 numMergedOcc 0
86 mol 224 unq 4 iso 0 dist 6.57273 8.95269 4.70378 7.05804 8.79428 13.2325 5.78342 8.49799 11.5372 6.8692 numMergedOcc 0
87 mol 224 unq 5 iso 0 dist 6.57273 5.78342 8.49799 7.05804 8.79428 6.8692 10.103 6.77699 11.328 6.99769 numMergedOcc 0
88 mol 224 unq 6 iso 0 dist 6.60589 6.65832 6.77699 5.76843 8.79428 6.99769 9.16166 8.49799 11.328 6.8692 numMergedOcc 0
89 mol 224 unq 7 iso 0 dist 6.60589 9.16166 8.49799 5.76843 8.79428 6.8692 6.65832 6.77699 11.328 6.99769 numMergedOcc 0
90 mol 224 unq 8 iso 0 dist 5.78342 8.95269 11.5372 7.05804 6.8692 13.2325 10.103 11.328 10.9861 6.99769 numMergedOcc 0
91 mol 224 unq 9 iso 0 dist 5.78342 8.95269 11.5372 7.05804 6.8692 13.2325 6.57273 8.49799 4.70378 8.79428 numMergedOcc 0
92 mol 224 unq 10 iso 0 dist 5.78342 6.57273 8.49799 7.05804 6.8692 8.79428 10.103 11.328 6.77699 6.99769 numMergedOcc 0
93 mol 224 unq 11 iso 0 dist 9.16166 6.65832 11.328 5.76843 6.8692 6.99769 6.60589 8.49799 6.77699 8.79428 numMergedOcc 0
94 mol 224 unq 12 iso 0 dist 9.16166 6.60589 8.49799 5.76843 6.8692 8.79428 6.65832 11.328 6.77699 6.99769 numMergedOcc 0
95 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 5.0317 5.23634 10.7855 8.65997 5.22356 7.60506 6.91318 numMergedOcc 0
96 mol 227 unq 1 iso 0 dist 7.22101 7.56888 10.8658 5.0317 5.23634 11.2661 8.65997 5.22356 9.70012 6.91318 numMergedOcc 0
97 mol 227 unq 2 iso 0 dist 7.22101 7.55216 12.4689 5.0317 5.23634 12.3663 8.65997 5.22356 12.9332 6.91318 numMergedOcc 0
98 mol 227 unq 3 iso 0 dist 8.65997 9.34734 7.60506 5.0317 6.91318 10.7855 7.22101 5.22356 6.99063 5.23634 numMergedOcc 0
99 mol 227 unq 4 iso 0 dist 8.65997 7.56888 9.70012 5.0317 6.91318 11.2661 7.22101 5.22356 10.8658 5.23634 numMergedOcc 0
100 mol 227 unq 5 iso 0 dist 8.65997 7.55216 12.9332 5.0317 6.91318 12.3663 7.22101 5.22356 12.4689 5.23634 numMergedOcc 0
101 mol 229 unq 0 iso 0 dist 7.03423 9.06952 6.84129 7.22525 7.27993 11.9869 11.9282 5.1556 10.4478 9.51168 numMergedOcc 0
102 mol 229 unq 1 iso 0 dist 7.03423 9.06952 6.84129 7.22525 7.27993 11.9869 11.4362 7.0298 10.2557 6.95201 numMergedOcc 0
103 mol 234 unq 0 iso 0 dist 9.45496 6.56247 5.88703 12.4252 7.81215 11.6391 17.458 10.2693 15.2225 5.64285 numMergedOcc 0
104 mol 234 unq 1 iso 0 dist 6.7625 9.36357 5.88703 5.75498 7.81215 11.6391 10.701 10.2693 15.2225 5.64285 numMergedOcc 0
105 mol 238 unq 0 iso 0 dist 7.31233 6.22714 5.34096 10.3162 9.12776 8.69015 19.5656 15.7907 16.9605 9.72188 numMergedOcc 0
106 mol 259 unq 0 iso 0 dist 8.13497 8.53687 10.582 12.2293 9.46361 18.7675 10.3935 6.96053 15.7715 6.95511 numMergedOcc 0
107 mol 259 unq 1 iso 0 dist 7.88519 7.84554 4.86771 11.6988 9.46361 12.8903 7.46176 6.96053 7.64658 6.95511 numMergedOcc 0
108 mol 259 unq 2 iso 0 dist 7.88519 9.18903 10.4881 11.6988 9.46361 17.104 7.46176 6.96053 10.5239 6.95511 numMergedOcc 0
109 mol 259 unq 3 iso 0 dist 7.46176 7.88519 6.96053 10.067 5.85442 10.3406 12.0576 9.98105 15.8535 6.9899 numMergedOcc 0
110 mol 259 unq 4 iso 0 dist 7.46176 7.84554 7.64658 10.067 5.85442 12.8546 12.0576 9.98105 16.9228 6.9899 numMergedOcc 0
111 mol 259 unq 5 iso 0 dist 7.46176 7.84554 7.64658 11.6988 6.95511 12.8903 7.88519 6.96053 4.86771 9.46361 numMergedOcc 0
112 mol 259 unq 6 iso 0 dist 7.46176 9.18903 10.5239 10.067 5.85442 16.0301 12.0576 9.98105 17.9439 6.9899 numMergedOcc 0
113 mol 259 unq 7 iso 0 dist 7.46176 9.18903 10.5239 11.6988 6.95511 17.104 7.88519 6.96053 10.4881 9.46361 numMergedOcc 0
