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 11.6856 10.4852 5.01101 5.05803 6.93532 numMergedOcc 0
1 mol 16 unq 0 iso 1 dist 5.05803 6.42835 5.01101 10.2656 11.6856 7.65889 5.30082 6.93532 5.94982 6.51133 11.0958 10.4852 6.86055 4.7319 6.72833 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 12.7009 15.5644 5.18617 7.57578 8.50222 numMergedOcc 0
3 mol 25 unq 0 iso 1 dist 7.57578 9.48085 5.18617 10.9391 12.7009 9.49421 6.08585 8.50222 6.53269 5.77929 11.9561 15.5644 13.6145 5.04899 8.87757 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 5.04899 9.49421 13.6145 10.9391 11.9561 9.48085 5.77929 8.87757 6.53269 6.08585 12.8117 16.1048 5.68041 7.17969 7.55264 numMergedOcc 0
5 mol 25 unq 1 iso 1 dist 7.17969 9.48085 5.68041 10.9391 12.8117 9.49421 6.08585 7.55264 6.53269 5.77929 11.9561 16.1048 13.6145 5.04899 8.87757 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 5.04899 9.49421 13.6145 10.9391 11.9561 9.48085 6.68639 9.61019 9.81524 9.15781 12.7009 15.5644 5.18617 7.57578 12.4659 numMergedOcc 0
7 mol 25 unq 2 iso 1 dist 7.57578 9.48085 5.18617 10.9391 12.7009 9.49421 9.15781 12.4659 9.81524 6.68639 11.9561 15.5644 13.6145 5.04899 9.61019 numMergedOcc 0
8 mol 25 unq 3 iso 0 dist 5.04899 9.49421 13.6145 10.9391 11.9561 9.48085 6.68639 9.61019 9.81524 9.15781 12.8117 16.1048 5.68041 7.17969 10.3593 numMergedOcc 0
9 mol 25 unq 3 iso 1 dist 7.17969 9.48085 5.68041 10.9391 12.8117 9.49421 9.15781 10.3593 9.81524 6.68639 11.9561 16.1048 13.6145 5.04899 9.61019 numMergedOcc 0
10 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 6.43294 10.6819 8.62476 8.7531 11.816 numMergedOcc 0
11 mol 60 unq 0 iso 1 dist 8.7531 8.4312 8.62476 5.67502 6.43294 7.57295 5.94827 11.816 6.63448 9.49968 11.1899 10.6819 7.80499 6.65595 12.1928 numMergedOcc 0
12 mol 60 unq 1 iso 0 dist 8.90863 7.48086 7.80499 6.54743 6.65595 7.57295 5.32257 12.1928 6.63448 9.49968 10.0828 4.73512 5.6397 9.25011 11.3973 numMergedOcc 0
13 mol 60 unq 1 iso 1 dist 9.25011 7.57295 5.6397 6.54743 10.0828 7.48086 9.49968 11.3973 6.63448 5.32257 6.65595 4.73512 7.80499 8.90863 12.1928 numMergedOcc 0
14 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 11.5843 10.6819 8.62476 6.43294 11.816 numMergedOcc 0
15 mol 60 unq 2 iso 1 dist 6.43294 7.57295 8.62476 6.54743 11.5843 7.48086 9.49968 11.816 6.63448 5.32257 6.65595 10.6819 7.80499 8.90863 12.1928 numMergedOcc 0
16 mol 60 unq 3 iso 0 dist 8.90863 7.48086 7.80499 6.54743 6.65595 7.57295 5.32257 12.1928 6.63448 9.49968 12.4757 8.93946 6.55502 8.52121 12.3484 numMergedOcc 0
17 mol 60 unq 3 iso 1 dist 8.52121 7.57295 6.55502 6.54743 12.4757 7.48086 9.49968 12.3484 6.63448 5.32257 6.65595 8.93946 7.80499 8.90863 12.1928 numMergedOcc 0
18 mol 60 unq 4 iso 0 dist 8.90863 7.48086 7.80499 5.00018 11.1899 8.4312 5.32257 12.1928 6.63448 5.94827 11.5843 10.6819 8.62476 8.7531 11.816 numMergedOcc 0
19 mol 60 unq 4 iso 1 dist 8.7531 8.4312 8.62476 5.00018 11.5843 7.48086 5.94827 11.816 6.63448 5.32257 11.1899 10.6819 7.80499 8.90863 12.1928 numMergedOcc 0
20 mol 60 unq 5 iso 0 dist 9.25011 7.57295 5.6397 5.67502 12.4656 8.4312 9.49968 11.3973 6.63448 5.94827 6.43294 11.3621 8.62476 8.7531 11.816 numMergedOcc 0
21 mol 60 unq 5 iso 1 dist 8.7531 8.4312 8.62476 5.67502 6.43294 7.57295 5.94827 11.816 6.63448 9.49968 12.4656 11.3621 5.6397 9.25011 11.3973 numMergedOcc 0
22 mol 60 unq 6 iso 0 dist 8.7531 8.4312 8.62476 5.67502 6.43294 7.57295 5.94827 11.816 6.63448 9.49968 11.6311 5.51199 6.55502 8.52121 12.3484 numMergedOcc 0
23 mol 60 unq 6 iso 1 dist 8.52121 7.57295 6.55502 5.67502 11.6311 8.4312 9.49968 12.3484 6.63448 5.94827 6.43294 5.51199 8.62476 8.7531 11.816 numMergedOcc 0
24 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 9.96396 15.7123 5.70116 6.19304 9.24757 numMergedOcc 0
25 mol 73 unq 0 iso 1 dist 6.19304 7.4369 5.70116 5.4148 9.96396 9.73086 6.56633 9.24757 6.14542 5.11416 10.2049 15.7123 17.4121 9.38498 13.8696 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 6.19304 7.4369 5.70116 5.4148 9.96396 9.73086 6.56633 9.24757 6.14542 5.11416 11.6369 12.016 14.844 9.75218 13.0145 numMergedOcc 0
27 mol 73 unq 1 iso 1 dist 9.75218 9.73086 14.844 5.4148 11.6369 7.4369 5.11416 13.0145 6.14542 6.56633 9.96396 12.016 5.70116 6.19304 9.24757 numMergedOcc 0
28 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 10.1489 8.98304 4.03277 9.60661 9.1361 numMergedOcc 0
29 mol 100 unq 0 iso 1 dist 9.60661 8.91882 4.03277 10.8375 10.1489 9.21662 6.71012 9.1361 6.55173 6.12107 16.1937 8.98304 9.39125 8.87449 12.0685 numMergedOcc 0
30 mol 100 unq 1 iso 0 dist 8.87449 9.21662 9.39125 10.8375 16.1937 8.91882 6.12107 12.0685 6.55173 6.71012 13.2001 14.5815 6.23008 6.65086 9.5074 numMergedOcc 0
31 mol 100 unq 1 iso 1 dist 6.65086 8.91882 6.23008 10.8375 13.2001 9.21662 6.71012 9.5074 6.55173 6.12107 16.1937 14.5815 9.39125 8.87449 12.0685 numMergedOcc 0
32 mol 100 unq 2 iso 0 dist 8.87449 9.21662 9.39125 10.8375 16.1937 8.91882 5.42531 10.9242 6.59691 5.80144 10.1489 8.98304 4.03277 9.60661 7.01812 numMergedOcc 0
33 mol 100 unq 2 iso 1 dist 9.60661 8.91882 4.03277 10.8375 10.1489 9.21662 5.80144 7.01812 6.59691 5.42531 16.1937 8.98304 9.39125 8.87449 10.9242 numMergedOcc 0
34 mol 100 unq 3 iso 0 dist 8.87449 9.21662 9.39125 10.8375 16.1937 8.91882 5.42531 10.9242 6.59691 5.80144 13.2001 14.5815 6.23008 6.65086 8.30845 numMergedOcc 0
35 mol 100 unq 3 iso 1 dist 6.65086 8.91882 6.23008 10.8375 13.2001 9.21662 5.80144 8.30845 6.59691 5.42531 16.1937 14.5815 9.39125 8.87449 10.9242 numMergedOcc 0
36 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 9.72413 12.8594 4.39676 6.18601 6.73586 numMergedOcc 0
37 mol 119 unq 0 iso 1 dist 6.18601 8.95212 4.39676 9.93257 9.72413 7.64052 5.13589 6.73586 8.67537 12.0175 16.4353 12.8594 9.68677 8.73993 17.8739 numMergedOcc 0
38 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 12.6489 12.4603 6.20019 9.87172 11.5311 numMergedOcc 0
39 mol 119 unq 1 iso 1 dist 9.87172 6.99446 6.20019 4.85907 12.6489 7.64052 10.8661 11.5311 8.67537 12.0175 10.3704 12.4603 9.68677 8.73993 17.8739 numMergedOcc 0
40 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 10.1813 9.22558 4.39676 6.18601 6.73586 numMergedOcc 0
41 mol 119 unq 2 iso 1 dist 6.18601 8.95212 4.39676 10.9871 10.1813 6.99446 5.13589 6.73586 8.67537 10.8661 13.9919 9.22558 6.20019 9.87172 11.5311 numMergedOcc 0
42 mol 134 unq 0 iso 0 dist 8.94367 7.21868 8.06642 5.49782 6.37586 7.93372 4.57832 6.23142 9.0176 5.29786 9.86662 6.81259 4.00092 9.71307 9.94764 numMergedOcc 0
43 mol 134 unq 0 iso 1 dist 9.71307 7.93372 4.00092 5.49782 9.86662 7.21868 5.29786 9.94764 9.0176 4.57832 6.37586 6.81259 8.06642 8.94367 6.23142 numMergedOcc 0
44 mol 134 unq 1 iso 0 dist 6.37586 7.93372 8.06642 5.49782 8.94367 7.21868 5.29786 6.23142 9.0176 4.57832 9.71307 6.81259 4.00092 9.86662 9.94764 numMergedOcc 0
45 mol 134 unq 1 iso 1 dist 9.86662 7.21868 4.00092 5.49782 9.71307 7.93372 4.57832 9.94764 9.0176 5.29786 8.94367 6.81259 8.06642 6.37586 6.23142 numMergedOcc 0
46 mol 224 unq 0 iso 0 dist 6.65832 6.99769 5.76843 6.77699 6.60589 8.79428 5.91654 10.8507 9.25617 7.38836 10.103 5.0744 7.05804 6.57273 11.9653 numMergedOcc 0
47 mol 224 unq 0 iso 1 dist 6.57273 8.79428 7.05804 6.77699 10.103 6.99769 7.38836 11.9653 9.25617 5.91654 6.60589 5.0744 5.76843 6.65832 10.8507 numMergedOcc 0
48 mol 224 unq 1 iso 0 dist 6.65832 6.99769 5.76843 6.77699 6.60589 8.79428 9.14278 13.4196 9.05276 12.4832 10.103 5.0744 7.05804 6.57273 14.5387 numMergedOcc 0
49 mol 224 unq 1 iso 1 dist 6.57273 8.79428 7.05804 6.77699 10.103 6.99769 12.4832 14.5387 9.05276 9.14278 6.60589 5.0744 5.76843 6.65832 13.4196 numMergedOcc 0
50 mol 224 unq 2 iso 0 dist 6.65832 6.99769 5.76843 11.328 9.16166 6.8692 5.91654 10.8507 9.25617 10.6079 10.103 5.0744 7.05804 5.78342 11.9653 numMergedOcc 0
51 mol 224 unq 2 iso 1 dist 5.78342 6.8692 7.05804 11.328 10.103 6.99769 10.6079 11.9653 9.25617 5.91654 9.16166 5.0744 5.76843 6.65832 10.8507 numMergedOcc 0
52 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 10.9745 6.91102 4.54188 5.81334 12.9355 numMergedOcc 0
53 mol 224 unq 3 iso 1 dist 5.81334 6.8692 4.54188 11.328 10.9745 6.99769 10.6079 12.9355 9.25617 5.91654 9.16166 6.91102 5.76843 6.65832 10.8507 numMergedOcc 0
54 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 10.103 5.0744 7.05804 5.78342 14.5387 numMergedOcc 0
55 mol 224 unq 4 iso 1 dist 5.78342 6.8692 7.05804 11.328 10.103 6.99769 11.5752 14.5387 9.05276 9.14278 9.16166 5.0744 5.76843 6.65832 13.4196 numMergedOcc 0
56 mol 224 unq 5 iso 0 dist 6.65832 6.99769 5.76843 11.328 9.16166 6.8692 9.14278 13.4196 9.05276 11.5752 10.9745 6.91102 4.54188 5.81334 12.8311 numMergedOcc 0
57 mol 224 unq 5 iso 1 dist 5.81334 6.8692 4.54188 11.328 10.9745 6.99769 11.5752 12.8311 9.05276 9.14278 9.16166 6.91102 5.76843 6.65832 13.4196 numMergedOcc 0
58 mol 224 unq 2 iso 0 dist 6.57273 8.79428 7.05804 8.49799 5.78342 6.8692 7.38836 11.9653 9.25617 10.6079 6.60589 5.0744 5.76843 9.16166 10.8507 numMergedOcc 0
59 mol 224 unq 2 iso 1 dist 9.16166 6.8692 5.76843 8.49799 6.60589 8.79428 10.6079 10.8507 9.25617 7.38836 5.78342 5.0744 7.05804 6.57273 11.9653 numMergedOcc 0
60 mol 224 unq 3 iso 0 dist 6.57273 8.79428 7.05804 8.49799 5.78342 6.8692 7.38836 11.9653 9.25617 10.6079 10.5128 5.60236 4.54188 5.81334 12.9355 numMergedOcc 0
61 mol 224 unq 3 iso 1 dist 5.81334 6.8692 4.54188 8.49799 10.5128 8.79428 10.6079 12.9355 9.25617 7.38836 5.78342 5.60236 7.05804 6.57273 11.9653 numMergedOcc 0
62 mol 224 unq 4 iso 0 dist 6.57273 8.79428 7.05804 8.49799 5.78342 6.8692 12.4832 14.5387 9.05276 11.5752 6.60589 5.0744 5.76843 9.16166 13.4196 numMergedOcc 0
63 mol 224 unq 4 iso 1 dist 9.16166 6.8692 5.76843 8.49799 6.60589 8.79428 11.5752 13.4196 9.05276 12.4832 5.78342 5.0744 7.05804 6.57273 14.5387 numMergedOcc 0
64 mol 224 unq 5 iso 0 dist 6.57273 8.79428 7.05804 8.49799 5.78342 6.8692 12.4832 14.5387 9.05276 11.5752 10.5128 5.60236 4.54188 5.81334 12.8311 numMergedOcc 0
65 mol 224 unq 5 iso 1 dist 5.81334 6.8692 4.54188 8.49799 10.5128 8.79428 11.5752 12.8311 9.05276 12.4832 5.78342 5.60236 7.05804 6.57273 14.5387 numMergedOcc 0
66 mol 224 unq 6 iso 0 dist 6.60589 8.79428 5.76843 8.49799 9.16166 6.8692 7.38836 10.8507 9.25617 10.6079 6.57273 5.0744 7.05804 5.78342 11.9653 numMergedOcc 0
67 mol 224 unq 6 iso 1 dist 5.78342 6.8692 7.05804 8.49799 6.57273 8.79428 10.6079 11.9653 9.25617 7.38836 9.16166 5.0744 5.76843 6.60589 10.8507 numMergedOcc 0
68 mol 224 unq 7 iso 0 dist 6.60589 8.79428 5.76843 8.49799 9.16166 6.8692 7.38836 10.8507 9.25617 10.6079 10.5128 6.91102 4.54188 5.81334 12.9355 numMergedOcc 0
69 mol 224 unq 7 iso 1 dist 5.81334 6.8692 4.54188 8.49799 10.5128 8.79428 10.6079 12.9355 9.25617 7.38836 9.16166 6.91102 5.76843 6.60589 10.8507 numMergedOcc 0
70 mol 224 unq 8 iso 0 dist 6.60589 8.79428 5.76843 8.49799 9.16166 6.8692 12.4832 13.4196 9.05276 11.5752 6.57273 5.0744 7.05804 5.78342 14.5387 numMergedOcc 0
71 mol 224 unq 8 iso 1 dist 5.78342 6.8692 7.05804 8.49799 6.57273 8.79428 11.5752 14.5387 9.05276 12.4832 9.16166 5.0744 5.76843 6.60589 13.4196 numMergedOcc 0
72 mol 224 unq 9 iso 0 dist 6.60589 8.79428 5.76843 8.49799 9.16166 6.8692 12.4832 13.4196 9.05276 11.5752 10.5128 6.91102 4.54188 5.81334 12.8311 numMergedOcc 0
73 mol 224 unq 9 iso 1 dist 5.81334 6.8692 4.54188 8.49799 10.5128 8.79428 11.5752 12.8311 9.05276 12.4832 9.16166 6.91102 5.76843 6.60589 13.4196 numMergedOcc 0
74 mol 227 unq 0 iso 0 dist 8.65997 6.91318 5.0317 5.22356 7.22101 5.23634 10.204 7.43071 9.18728 6.35849 10.8157 4.39704 5.83175 7.09863 6.02296 numMergedOcc 0
75 mol 227 unq 0 iso 1 dist 7.09863 5.23634 5.83175 5.22356 10.8157 6.91318 6.35849 6.02296 9.18728 10.204 7.22101 4.39704 5.0317 8.65997 7.43071 numMergedOcc 0
76 mol 227 unq 1 iso 0 dist 8.65997 6.91318 5.0317 5.22356 7.22101 5.23634 9.72615 5.41321 8.91971 10.9607 10.8157 4.39704 5.83175 7.09863 9.74265 numMergedOcc 0
77 mol 227 unq 1 iso 1 dist 7.09863 5.23634 5.83175 5.22356 10.8157 6.91318 10.9607 9.74265 8.91971 9.72615 7.22101 4.39704 5.0317 8.65997 5.41321 numMergedOcc 0
78 mol 229 unq 0 iso 0 dist 8.22528 7.27993 5.70473 7.0298 11.7165 6.95201 6.65022 8.66332 9.37336 10.2411 11.6115 8.36584 4.61227 9.87838 13.8021 numMergedOcc 0
79 mol 229 unq 0 iso 1 dist 9.87838 6.95201 4.61227 7.0298 11.6115 7.27993 10.2411 13.8021 9.37336 6.65022 11.7165 8.36584 5.70473 8.22528 8.66332 numMergedOcc 0
80 mol 229 unq 1 iso 0 dist 7.03423 7.27993 7.22525 7.0298 11.4362 6.95201 6.65022 11.1976 9.37336 10.2411 11.6115 9.5716 4.61227 9.87838 13.8021 numMergedOcc 0
81 mol 229 unq 1 iso 1 dist 9.87838 6.95201 4.61227 7.0298 11.6115 7.27993 10.2411 13.8021 9.37336 6.65022 11.4362 9.5716 7.22525 7.03423 11.1976 numMergedOcc 0
