0 mol 16 unq 0 iso 0 dist 4.7319 7.65889 6.86055 10.2656 11.0958 6.42835 6.51133 6.72833 5.94982 5.30082 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 5.05803 6.42835 5.01101 10.2656 11.6856 7.65889 5.30082 6.93532 5.94982 6.51133 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 5.04899 9.49421 13.6145 10.9391 11.9561 9.48085 5.77929 8.87757 6.53269 6.08585 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 5.04899 9.49421 13.6145 10.9391 11.9561 9.48085 6.68639 9.61019 9.81524 9.15781 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 7.57578 9.48085 5.18617 10.9391 12.7009 9.49421 6.08585 8.50222 6.53269 5.77929 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 7.57578 9.48085 5.18617 10.9391 12.7009 9.49421 9.15781 12.4659 9.81524 6.68639 numMergedOcc 0
6 mol 25 unq 4 iso 0 dist 7.17969 9.48085 5.68041 10.9391 12.8117 9.49421 6.08585 7.55264 6.53269 5.77929 numMergedOcc 0
7 mol 25 unq 5 iso 0 dist 7.17969 9.48085 5.68041 10.9391 12.8117 9.49421 9.15781 10.3593 9.81524 6.68639 numMergedOcc 0
8 mol 58 unq 0 iso 0 dist 6.81627 5.38524 5.61579 5.79773 11.715 8.66539 9.37804 14.2075 9.02642 6.49081 numMergedOcc 0
9 mol 58 unq 1 iso 0 dist 6.81627 5.38524 5.61579 5.47421 7.32874 8.69057 9.37804 14.2075 9.02642 14.0374 numMergedOcc 0
10 mol 58 unq 2 iso 0 dist 7.32874 8.69057 5.61579 10.8779 11.715 8.66539 14.0374 14.2075 9.02642 6.49081 numMergedOcc 0
11 mol 58 unq 3 iso 0 dist 7.32874 8.69057 5.61579 5.47421 6.81627 5.38524 14.0374 14.2075 9.02642 9.37804 numMergedOcc 0
12 mol 58 unq 4 iso 0 dist 6.62496 9.22598 9.87158 4.81926 6.35756 8.96727 9.95364 8.80614 9.01564 5.49591 numMergedOcc 0
13 mol 58 unq 5 iso 0 dist 6.35756 8.96727 9.87158 4.81926 6.62496 9.22598 5.49591 8.80614 9.01564 9.95364 numMergedOcc 0
14 mol 60 unq 0 iso 0 dist 6.65595 7.57295 7.80499 5.67502 11.1899 8.4312 9.49968 12.1928 6.63448 5.94827 numMergedOcc 0
15 mol 60 unq 1 iso 0 dist 6.65595 7.57295 7.80499 6.54743 8.90863 7.48086 9.49968 12.1928 6.63448 5.32257 numMergedOcc 0
16 mol 60 unq 2 iso 0 dist 8.90863 7.48086 7.80499 6.54743 6.65595 7.57295 5.32257 12.1928 6.63448 9.49968 numMergedOcc 0
17 mol 60 unq 3 iso 0 dist 8.90863 7.48086 7.80499 5.00018 11.1899 8.4312 5.32257 12.1928 6.63448 5.94827 numMergedOcc 0
18 mol 60 unq 4 iso 0 dist 9.25011 7.57295 5.6397 5.67502 12.4656 8.4312 9.49968 11.3973 6.63448 5.94827 numMergedOcc 0
19 mol 60 unq 5 iso 0 dist 9.25011 7.57295 5.6397 6.54743 10.0828 7.48086 9.49968 11.3973 6.63448 5.32257 numMergedOcc 0
20 mol 60 unq 6 iso 0 dist 6.43294 7.57295 8.62476 5.67502 8.7531 8.4312 9.49968 11.816 6.63448 5.94827 numMergedOcc 0
21 mol 60 unq 7 iso 0 dist 6.43294 7.57295 8.62476 6.54743 11.5843 7.48086 9.49968 11.816 6.63448 5.32257 numMergedOcc 0
22 mol 60 unq 8 iso 0 dist 8.7531 8.4312 8.62476 5.67502 6.43294 7.57295 5.94827 11.816 6.63448 9.49968 numMergedOcc 0
23 mol 60 unq 9 iso 0 dist 8.7531 8.4312 8.62476 5.00018 11.5843 7.48086 5.94827 11.816 6.63448 5.32257 numMergedOcc 0
24 mol 60 unq 10 iso 0 dist 8.52121 7.57295 6.55502 5.67502 11.6311 8.4312 9.49968 12.3484 6.63448 5.94827 numMergedOcc 0
25 mol 60 unq 11 iso 0 dist 8.52121 7.57295 6.55502 6.54743 12.4757 7.48086 9.49968 12.3484 6.63448 5.32257 numMergedOcc 0
26 mol 73 unq 0 iso 0 dist 9.38498 9.73086 17.4121 5.4148 10.2049 7.4369 5.11416 13.8696 6.14542 6.56633 numMergedOcc 0
27 mol 73 unq 1 iso 0 dist 9.96396 9.73086 5.70116 5.4148 6.19304 7.4369 5.11416 9.24757 6.14542 6.56633 numMergedOcc 0
28 mol 73 unq 2 iso 0 dist 6.19304 7.4369 5.70116 5.4148 9.96396 9.73086 6.56633 9.24757 6.14542 5.11416 numMergedOcc 0
29 mol 73 unq 3 iso 0 dist 9.75218 9.73086 14.844 5.4148 11.6369 7.4369 5.11416 13.0145 6.14542 6.56633 numMergedOcc 0
30 mol 98 unq 0 iso 0 dist 5.08437 5.10496 3.9764 9.51923 6.48948 5.92242 7.94178 11.3043 9.84703 15.7178 numMergedOcc 0
31 mol 98 unq 1 iso 0 dist 5.08437 5.10496 3.9764 9.51923 6.48948 5.92242 4.4057 6.65501 4.62494 7.42446 numMergedOcc 0
32 mol 98 unq 2 iso 0 dist 5.08437 5.10496 3.9764 8.40073 6.10456 5.2571 7.94178 11.3043 9.84703 9.85543 numMergedOcc 0
33 mol 98 unq 3 iso 0 dist 5.08437 5.10496 3.9764 8.40073 6.10456 5.2571 4.4057 6.65501 4.62494 9.67482 numMergedOcc 0
34 mol 98 unq 4 iso 0 dist 5.08437 5.10496 3.9764 10.2427 10.1136 8.7497 7.94178 11.3043 9.84703 7.28361 numMergedOcc 0
35 mol 98 unq 5 iso 0 dist 5.08437 5.10496 3.9764 10.2427 10.1136 8.7497 4.4057 6.65501 4.62494 12.0974 numMergedOcc 0
36 mol 98 unq 6 iso 0 dist 6.48948 5.92242 3.9764 9.51923 5.08437 5.10496 15.7178 11.3043 9.84703 7.94178 numMergedOcc 0
37 mol 98 unq 7 iso 0 dist 6.48948 5.92242 3.9764 9.51923 5.08437 5.10496 7.42446 6.65501 4.62494 4.4057 numMergedOcc 0
38 mol 98 unq 8 iso 0 dist 6.48948 5.92242 3.9764 9.42358 6.10456 5.2571 15.7178 11.3043 9.84703 9.85543 numMergedOcc 0
39 mol 98 unq 9 iso 0 dist 6.48948 5.92242 3.9764 9.42358 6.10456 5.2571 7.42446 6.65501 4.62494 9.67482 numMergedOcc 0
40 mol 98 unq 10 iso 0 dist 6.48948 5.92242 3.9764 13.9786 10.1136 8.7497 15.7178 11.3043 9.84703 7.28361 numMergedOcc 0
41 mol 98 unq 11 iso 0 dist 6.48948 5.92242 3.9764 13.9786 10.1136 8.7497 7.42446 6.65501 4.62494 12.0974 numMergedOcc 0
42 mol 98 unq 12 iso 0 dist 6.10456 7.54889 10.4782 13.659 17.4071 9.64383 9.67482 6.65501 8.46823 16.4267 numMergedOcc 0
43 mol 98 unq 13 iso 0 dist 6.10456 7.54889 10.4782 13.659 17.4071 9.64383 9.85543 11.3043 9.25444 18.5442 numMergedOcc 0
44 mol 98 unq 14 iso 0 dist 6.10456 7.54889 10.4782 5.02887 10.1136 7.78931 9.67482 6.65501 8.46823 12.0974 numMergedOcc 0
45 mol 98 unq 15 iso 0 dist 6.10456 7.54889 10.4782 5.02887 10.1136 7.78931 9.85543 11.3043 9.25444 7.28361 numMergedOcc 0
46 mol 98 unq 16 iso 0 dist 6.10456 5.2571 3.9764 8.40073 5.08437 5.10496 9.85543 11.3043 9.84703 7.94178 numMergedOcc 0
47 mol 98 unq 17 iso 0 dist 6.10456 5.2571 3.9764 8.40073 5.08437 5.10496 9.67482 6.65501 4.62494 4.4057 numMergedOcc 0
48 mol 98 unq 18 iso 0 dist 6.10456 5.2571 3.9764 9.42358 6.48948 5.92242 9.85543 11.3043 9.84703 15.7178 numMergedOcc 0
49 mol 98 unq 19 iso 0 dist 6.10456 5.2571 3.9764 9.42358 6.48948 5.92242 9.67482 6.65501 4.62494 7.42446 numMergedOcc 0
50 mol 98 unq 20 iso 0 dist 6.10456 5.2571 3.9764 5.02887 10.1136 8.7497 9.85543 11.3043 9.84703 7.28361 numMergedOcc 0
51 mol 98 unq 21 iso 0 dist 6.10456 5.2571 3.9764 5.02887 10.1136 8.7497 9.67482 6.65501 4.62494 12.0974 numMergedOcc 0
52 mol 100 unq 0 iso 0 dist 8.87449 9.21662 9.39125 10.8375 16.1937 8.91882 6.12107 12.0685 6.55173 6.71012 numMergedOcc 0
53 mol 100 unq 1 iso 0 dist 8.87449 9.21662 9.39125 10.8375 16.1937 8.91882 5.42531 10.9242 6.59691 5.80144 numMergedOcc 0
54 mol 100 unq 2 iso 0 dist 9.60661 8.91882 4.03277 10.8375 10.1489 9.21662 6.71012 9.1361 6.55173 6.12107 numMergedOcc 0
55 mol 100 unq 3 iso 0 dist 9.60661 8.91882 4.03277 10.8375 10.1489 9.21662 5.80144 7.01812 6.59691 5.42531 numMergedOcc 0
56 mol 100 unq 4 iso 0 dist 6.65086 8.91882 6.23008 10.8375 13.2001 9.21662 6.71012 9.5074 6.55173 6.12107 numMergedOcc 0
57 mol 100 unq 5 iso 0 dist 6.65086 8.91882 6.23008 10.8375 13.2001 9.21662 5.80144 8.30845 6.59691 5.42531 numMergedOcc 0
58 mol 109 unq 0 iso 0 dist 8.69985 8.52024 5.00433 7.15843 13.1098 9.89083 7.74599 7.80523 7.56755 10.0688 numMergedOcc 0
59 mol 119 unq 0 iso 0 dist 8.73993 7.64052 9.68677 9.93257 16.4353 8.95212 12.0175 17.8739 8.67537 5.13589 numMergedOcc 0
60 mol 119 unq 1 iso 0 dist 8.73993 7.64052 9.68677 4.85907 10.3704 6.99446 12.0175 17.8739 8.67537 10.8661 numMergedOcc 0
61 mol 119 unq 2 iso 0 dist 9.87172 6.99446 6.20019 10.9871 13.9919 8.95212 10.8661 11.5311 8.67537 5.13589 numMergedOcc 0
62 mol 119 unq 3 iso 0 dist 9.87172 6.99446 6.20019 4.85907 12.6489 7.64052 10.8661 11.5311 8.67537 12.0175 numMergedOcc 0
63 mol 119 unq 4 iso 0 dist 6.18601 8.95212 4.39676 10.9871 10.1813 6.99446 5.13589 6.73586 8.67537 10.8661 numMergedOcc 0
64 mol 119 unq 5 iso 0 dist 6.18601 8.95212 4.39676 9.93257 9.72413 7.64052 5.13589 6.73586 8.67537 12.0175 numMergedOcc 0
65 mol 134 unq 0 iso 0 dist 8.94367 7.21868 8.06642 5.62899 11.7385 9.66543 4.57832 6.23142 9.0176 7.1797 numMergedOcc 0
66 mol 134 unq 1 iso 0 dist 8.94367 7.21868 8.06642 5.49782 6.37586 7.93372 4.57832 6.23142 9.0176 5.29786 numMergedOcc 0
67 mol 134 unq 2 iso 0 dist 6.37586 7.93372 8.06642 10.7144 11.7385 9.66543 5.29786 6.23142 9.0176 7.1797 numMergedOcc 0
68 mol 134 unq 3 iso 0 dist 6.37586 7.93372 8.06642 5.49782 8.94367 7.21868 5.29786 6.23142 9.0176 4.57832 numMergedOcc 0
69 mol 134 unq 4 iso 0 dist 9.86662 7.21868 4.00092 5.62899 11.3835 9.66543 4.57832 9.94764 9.0176 7.1797 numMergedOcc 0
70 mol 134 unq 5 iso 0 dist 9.86662 7.21868 4.00092 5.49782 9.71307 7.93372 4.57832 9.94764 9.0176 5.29786 numMergedOcc 0
71 mol 134 unq 6 iso 0 dist 9.71307 7.93372 4.00092 10.7144 11.3835 9.66543 5.29786 9.94764 9.0176 7.1797 numMergedOcc 0
72 mol 134 unq 7 iso 0 dist 9.71307 7.93372 4.00092 5.49782 9.86662 7.21868 5.29786 9.94764 9.0176 4.57832 numMergedOcc 0
73 mol 167 unq 0 iso 0 dist 9.87651 7.02548 11.6011 4.70068 12.4733 6.84752 7.08726 16.4813 8.86449 4.64019 numMergedOcc 0
74 mol 167 unq 1 iso 0 dist 9.87651 7.02548 11.6011 10.3445 17.5366 7.86563 7.08726 16.4813 8.86449 5.90938 numMergedOcc 0
75 mol 170 unq 0 iso 0 dist 9.76807 9.51256 4.78249 8.56034 12.8281 9.08274 4.34698 6.35982 6.47164 9.275 numMergedOcc 0
76 mol 170 unq 1 iso 0 dist 9.76807 9.51256 4.78249 8.56034 12.8281 9.08274 5.75144 7.51126 9.65126 12.5696 numMergedOcc 0
77 mol 181 unq 0 iso 0 dist 9.1374 9.76212 12.9532 6.01247 9.94371 8.59874 4.43096 12.4878 7.35884 6.06566 numMergedOcc 0
78 mol 181 unq 1 iso 0 dist 8.03334 9.76212 6.50233 6.01247 10.9639 8.59874 4.43096 6.46704 7.35884 6.06566 numMergedOcc 0
79 mol 181 unq 2 iso 0 dist 7.81386 9.01624 5.71898 11.5866 9.81747 5.05973 7.20191 9.39829 5.99437 5.48529 numMergedOcc 0
80 mol 181 unq 3 iso 0 dist 7.63312 9.01624 5.93724 11.5866 9.11469 5.05973 7.20191 6.41453 5.99437 5.48529 numMergedOcc 0
81 mol 224 unq 0 iso 0 dist 6.61986 8.08349 5.13732 10.3613 13.4025 9.78218 10.7174 10.0553 5.05368 6.51732 numMergedOcc 0
82 mol 224 unq 1 iso 0 dist 6.65832 6.99769 5.76843 6.77699 6.60589 8.79428 5.91654 10.8507 9.25617 7.38836 numMergedOcc 0
83 mol 224 unq 2 iso 0 dist 6.65832 6.99769 5.76843 6.77699 6.60589 8.79428 9.14278 13.4196 9.05276 12.4832 numMergedOcc 0
84 mol 224 unq 3 iso 0 dist 6.65832 6.99769 5.76843 11.328 9.16166 6.8692 5.91654 10.8507 9.25617 10.6079 numMergedOcc 0
85 mol 224 unq 4 iso 0 dist 6.65832 6.99769 5.76843 11.328 9.16166 6.8692 9.14278 13.4196 9.05276 11.5752 numMergedOcc 0
86 mol 224 unq 5 iso 0 dist 6.57273 8.79428 7.05804 6.77699 10.103 6.99769 7.38836 11.9653 9.25617 5.91654 numMergedOcc 0
87 mol 224 unq 6 iso 0 dist 6.57273 8.79428 7.05804 6.77699 10.103 6.99769 12.4832 14.5387 9.05276 9.14278 numMergedOcc 0
88 mol 224 unq 7 iso 0 dist 6.57273 8.79428 7.05804 8.49799 5.78342 6.8692 7.38836 11.9653 9.25617 10.6079 numMergedOcc 0
89 mol 224 unq 8 iso 0 dist 6.57273 8.79428 7.05804 8.49799 5.78342 6.8692 12.4832 14.5387 9.05276 11.5752 numMergedOcc 0
90 mol 224 unq 9 iso 0 dist 6.60589 8.79428 5.76843 6.77699 6.65832 6.99769 7.38836 10.8507 9.25617 5.91654 numMergedOcc 0
91 mol 224 unq 10 iso 0 dist 6.60589 8.79428 5.76843 6.77699 6.65832 6.99769 12.4832 13.4196 9.05276 9.14278 numMergedOcc 0
92 mol 224 unq 11 iso 0 dist 6.60589 8.79428 5.76843 8.49799 9.16166 6.8692 7.38836 10.8507 9.25617 10.6079 numMergedOcc 0
93 mol 224 unq 12 iso 0 dist 6.60589 8.79428 5.76843 8.49799 9.16166 6.8692 12.4832 13.4196 9.05276 11.5752 numMergedOcc 0
94 mol 224 unq 13 iso 0 dist 5.78342 6.8692 7.05804 11.328 10.103 6.99769 10.6079 11.9653 9.25617 5.91654 numMergedOcc 0
95 mol 224 unq 14 iso 0 dist 5.78342 6.8692 7.05804 11.328 10.103 6.99769 11.5752 14.5387 9.05276 9.14278 numMergedOcc 0
96 mol 224 unq 15 iso 0 dist 5.78342 6.8692 7.05804 8.49799 6.57273 8.79428 10.6079 11.9653 9.25617 7.38836 numMergedOcc 0
97 mol 224 unq 16 iso 0 dist 5.78342 6.8692 7.05804 8.49799 6.57273 8.79428 11.5752 14.5387 9.05276 12.4832 numMergedOcc 0
98 mol 224 unq 17 iso 0 dist 9.16166 6.8692 5.76843 11.328 6.65832 6.99769 10.6079 10.8507 9.25617 5.91654 numMergedOcc 0
99 mol 224 unq 18 iso 0 dist 9.16166 6.8692 5.76843 11.328 6.65832 6.99769 11.5752 13.4196 9.05276 9.14278 numMergedOcc 0
100 mol 224 unq 19 iso 0 dist 9.16166 6.8692 5.76843 8.49799 6.60589 8.79428 10.6079 10.8507 9.25617 7.38836 numMergedOcc 0
101 mol 224 unq 20 iso 0 dist 9.16166 6.8692 5.76843 8.49799 6.60589 8.79428 11.5752 13.4196 9.05276 12.4832 numMergedOcc 0
102 mol 224 unq 21 iso 0 dist 5.81334 6.8692 4.54188 11.328 10.9745 6.99769 10.6079 12.9355 9.25617 5.91654 numMergedOcc 0
103 mol 224 unq 22 iso 0 dist 5.81334 6.8692 4.54188 11.328 10.9745 6.99769 11.5752 12.8311 9.05276 9.14278 numMergedOcc 0
104 mol 224 unq 23 iso 0 dist 5.81334 6.8692 4.54188 8.49799 10.5128 8.79428 10.6079 12.9355 9.25617 7.38836 numMergedOcc 0
105 mol 224 unq 24 iso 0 dist 5.81334 6.8692 4.54188 8.49799 10.5128 8.79428 11.5752 12.8311 9.05276 12.4832 numMergedOcc 0
106 mol 227 unq 0 iso 0 dist 7.22101 5.23634 5.0317 5.22356 8.65997 6.91318 6.35849 7.43071 9.18728 10.204 numMergedOcc 0
107 mol 227 unq 1 iso 0 dist 7.22101 5.23634 5.0317 5.22356 8.65997 6.91318 10.9607 5.41321 8.91971 9.72615 numMergedOcc 0
108 mol 227 unq 2 iso 0 dist 8.65997 6.91318 5.0317 5.22356 7.22101 5.23634 10.204 7.43071 9.18728 6.35849 numMergedOcc 0
109 mol 227 unq 3 iso 0 dist 8.65997 6.91318 5.0317 5.22356 7.22101 5.23634 9.72615 5.41321 8.91971 10.9607 numMergedOcc 0
110 mol 227 unq 4 iso 0 dist 7.09863 5.23634 5.83175 5.22356 10.8157 6.91318 6.35849 6.02296 9.18728 10.204 numMergedOcc 0
111 mol 227 unq 5 iso 0 dist 7.09863 5.23634 5.83175 5.22356 10.8157 6.91318 10.9607 9.74265 8.91971 9.72615 numMergedOcc 0
112 mol 229 unq 0 iso 0 dist 8.22528 7.27993 5.70473 5.1556 11.3979 9.51168 6.65022 8.66332 9.37336 5.42069 numMergedOcc 0
113 mol 229 unq 1 iso 0 dist 8.22528 7.27993 5.70473 7.0298 11.7165 6.95201 6.65022 8.66332 9.37336 10.2411 numMergedOcc 0
114 mol 229 unq 2 iso 0 dist 7.03423 7.27993 7.22525 5.1556 11.9282 9.51168 6.65022 11.1976 9.37336 5.42069 numMergedOcc 0
115 mol 229 unq 3 iso 0 dist 7.03423 7.27993 7.22525 7.0298 11.4362 6.95201 6.65022 11.1976 9.37336 10.2411 numMergedOcc 0
116 mol 229 unq 4 iso 0 dist 9.87838 6.95201 4.61227 7.0298 11.6115 7.27993 10.2411 13.8021 9.37336 6.65022 numMergedOcc 0
117 mol 229 unq 5 iso 0 dist 9.87838 6.95201 4.61227 6.54885 13.9028 9.51168 10.2411 13.8021 9.37336 5.42069 numMergedOcc 0
118 mol 234 unq 0 iso 0 dist 9.45496 7.81215 12.4252 10.2693 17.458 5.64285 10.0059 17.6227 7.77911 5.08515 numMergedOcc 0
119 mol 234 unq 1 iso 0 dist 6.7625 7.81215 5.75498 10.2693 10.701 5.64285 10.0059 12.6238 7.77911 5.08515 numMergedOcc 0
120 mol 239 unq 0 iso 0 dist 6.16342 6.73665 10.6736 11.347 16.5158 9.34438 11.169 11.308 8.95511 18.2672 numMergedOcc 0
121 mol 239 unq 1 iso 0 dist 6.16342 6.73665 10.6736 11.347 16.5158 9.34438 5.88931 10.3435 5.85002 6.22471 numMergedOcc 0
122 mol 239 unq 2 iso 0 dist 6.16342 6.73665 10.6736 7.97994 13.7154 9.35949 11.169 11.308 8.95511 13.9678 numMergedOcc 0
123 mol 239 unq 3 iso 0 dist 6.16342 6.73665 10.6736 7.97994 13.7154 9.35949 5.88931 10.3435 5.85002 9.88845 numMergedOcc 0
124 mol 277 unq 0 iso 0 dist 9.7748 8.9682 17.6038 11.8268 21.4606 9.57499 7.70529 16.795 9.26157 6.28695 numMergedOcc 0
125 mol 277 unq 1 iso 0 dist 9.7748 8.9682 17.6038 7.08227 16.3537 5.46926 7.70529 16.795 9.26157 4.37645 numMergedOcc 0
