0 mol 43 unq 0 iso 0 dist 5.73819 6.20293 5.06502 8.93915 5.89973 6.45462 5.48048 8.44903 10.0649 13.5072 5.07458 6.66407 10.0168 10.9975 4.69849 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 5.73819 8.93915 5.89973 6.20293 5.06502 6.45462 5.48048 8.44903 13.5072 10.0649 5.07458 6.66407 10.9975 10.0168 4.69849 numMergedOcc 0
2 mol 60 unq 0 iso 0 dist 8.7531 8.33063 7.29309 6.43294 5.67502 10.1562 9.62257 7.55695 9.96399 10.0962 8.62476 8.4312 12.8147 7.57295 5.71764 numMergedOcc 0
3 mol 60 unq 0 iso 1 dist 8.7531 6.43294 5.67502 8.33063 7.29309 10.1562 9.62257 7.55695 10.0962 9.96399 8.62476 8.4312 7.57295 12.8147 5.71764 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 8.70481 14.9342 13.3558 8.26458 7.04044 8.73253 10.3244 5.70116 9.73086 7.4369 12.8207 7.8972 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 9.96396 8.70481 14.9342 6.19304 5.4148 13.3558 8.26458 7.04044 10.3244 8.73253 5.70116 9.73086 12.8207 7.4369 7.8972 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 6.19304 9.96396 5.4148 8.70481 13.3558 14.9342 8.26458 8.73253 7.04044 10.3244 6.20232 8.68662 12.2276 13.8931 10.9746 numMergedOcc 0
7 mol 73 unq 1 iso 1 dist 6.19304 8.70481 13.3558 9.96396 5.4148 14.9342 8.26458 8.73253 10.3244 7.04044 6.20232 8.68662 13.8931 12.2276 10.9746 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 6.19304 9.96396 5.4148 8.70481 13.3558 14.9342 8.26458 8.73253 7.04044 10.3244 5.70116 7.4369 9.73086 12.8207 7.8972 numMergedOcc 0
9 mol 73 unq 2 iso 1 dist 6.19304 8.70481 13.3558 9.96396 5.4148 14.9342 8.26458 8.73253 10.3244 7.04044 5.70116 7.4369 12.8207 9.73086 7.8972 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 8.70481 9.96396 14.9342 6.19304 13.3558 5.4148 14.8866 8.85586 16.8706 18.0011 11.2069 5.5087 13.3207 13.8368 5.50891 numMergedOcc 0
11 mol 73 unq 3 iso 1 dist 8.70481 6.19304 13.3558 9.96396 14.9342 5.4148 14.8866 8.85586 18.0011 16.8706 11.2069 5.5087 13.8368 13.3207 5.50891 numMergedOcc 0
12 mol 73 unq 4 iso 0 dist 8.70481 9.96396 14.9342 6.19304 13.3558 5.4148 14.8866 8.85586 16.8706 18.0011 10.6713 6.08682 14.498 14.5999 4.75954 numMergedOcc 0
13 mol 73 unq 4 iso 1 dist 8.70481 6.19304 13.3558 9.96396 14.9342 5.4148 14.8866 8.85586 18.0011 16.8706 10.6713 6.08682 14.5999 14.498 4.75954 numMergedOcc 0
14 mol 73 unq 5 iso 0 dist 8.70481 9.96396 14.9342 6.19304 13.3558 5.4148 8.05119 7.11 12.4407 12.0613 11.2069 5.5087 13.3207 13.8368 7.50869 numMergedOcc 0
15 mol 73 unq 5 iso 1 dist 8.70481 6.19304 13.3558 9.96396 14.9342 5.4148 8.05119 7.11 12.0613 12.4407 11.2069 5.5087 13.8368 13.3207 7.50869 numMergedOcc 0
16 mol 73 unq 6 iso 0 dist 8.70481 9.96396 14.9342 6.19304 13.3558 5.4148 8.05119 7.11 12.4407 12.0613 10.6713 6.08682 14.498 14.5999 3.6807 numMergedOcc 0
17 mol 73 unq 6 iso 1 dist 8.70481 6.19304 13.3558 9.96396 14.9342 5.4148 8.05119 7.11 12.0613 12.4407 10.6713 6.08682 14.5999 14.498 3.6807 numMergedOcc 0
18 mol 85 unq 0 iso 0 dist 7.66905 7.47541 5.42586 5.73196 10.1164 6.87425 10.121 7.33422 12.3486 14.9249 5.59906 7.7068 10.2413 11.2056 6.33204 numMergedOcc 0
19 mol 85 unq 0 iso 1 dist 7.66905 5.73196 10.1164 7.47541 5.42586 6.87425 10.121 7.33422 14.9249 12.3486 5.59906 7.7068 11.2056 10.2413 6.33204 numMergedOcc 0
20 mol 100 unq 0 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 14.9392 9.00544 17.8663 20.2183 5.9143 7.82475 11.9928 10.694 11.3766 numMergedOcc 0
21 mol 100 unq 0 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 14.9392 9.00544 20.2183 17.8663 5.9143 7.82475 10.694 11.9928 11.3766 numMergedOcc 0
22 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 14.9392 9.00544 17.8663 20.2183 5.47563 5.35782 9.94341 9.82522 10.5056 numMergedOcc 0
23 mol 100 unq 1 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 14.9392 9.00544 20.2183 17.8663 5.47563 5.35782 9.82522 9.94341 10.5056 numMergedOcc 0
24 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 12.6602 7.12017 12.6061 18.4011 5.9143 7.82475 11.9928 10.694 13.4027 numMergedOcc 0
25 mol 100 unq 2 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 12.6602 7.12017 18.4011 12.6061 5.9143 7.82475 10.694 11.9928 13.4027 numMergedOcc 0
26 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 6.56369 12.6515 7.80879 12.6602 7.12017 12.6061 18.4011 5.47563 5.35782 9.94341 9.82522 12.068 numMergedOcc 0
27 mol 100 unq 3 iso 1 dist 7.47343 6.56369 12.6515 6.65086 8.8807 7.80879 12.6602 7.12017 18.4011 12.6061 5.47563 5.35782 9.82522 9.94341 12.068 numMergedOcc 0
28 mol 100 unq 4 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 14.9392 9.00544 17.8663 22.6977 5.9143 7.82475 11.9928 14.966 11.3766 numMergedOcc 0
29 mol 100 unq 4 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 14.9392 9.00544 22.6977 17.8663 5.9143 7.82475 14.966 11.9928 11.3766 numMergedOcc 0
30 mol 100 unq 5 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 14.9392 9.00544 17.8663 22.6977 5.47563 5.35782 9.94341 13.4844 10.5056 numMergedOcc 0
31 mol 100 unq 5 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 14.9392 9.00544 22.6977 17.8663 5.47563 5.35782 13.4844 9.94341 10.5056 numMergedOcc 0
32 mol 100 unq 6 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 12.6602 7.12017 12.6061 17.8494 5.9143 7.82475 11.9928 14.966 13.4027 numMergedOcc 0
33 mol 100 unq 6 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 12.6602 7.12017 17.8494 12.6061 5.9143 7.82475 14.966 11.9928 13.4027 numMergedOcc 0
34 mol 100 unq 7 iso 0 dist 7.47343 6.65086 8.8807 9.30209 13.887 5.38414 12.6602 7.12017 12.6061 17.8494 5.47563 5.35782 9.94341 13.4844 12.068 numMergedOcc 0
35 mol 100 unq 7 iso 1 dist 7.47343 9.30209 13.887 6.65086 8.8807 5.38414 12.6602 7.12017 17.8494 12.6061 5.47563 5.35782 13.4844 9.94341 12.068 numMergedOcc 0
36 mol 100 unq 4 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 14.9392 9.00544 20.2183 22.6977 5.9143 7.82475 10.694 14.966 11.3766 numMergedOcc 0
37 mol 100 unq 4 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 14.9392 9.00544 22.6977 20.2183 5.9143 7.82475 14.966 10.694 11.3766 numMergedOcc 0
38 mol 100 unq 5 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 14.9392 9.00544 20.2183 22.6977 5.47563 5.35782 9.82522 13.4844 10.5056 numMergedOcc 0
39 mol 100 unq 5 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 14.9392 9.00544 22.6977 20.2183 5.47563 5.35782 13.4844 9.82522 10.5056 numMergedOcc 0
40 mol 100 unq 6 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 12.6602 7.12017 18.4011 17.8494 5.9143 7.82475 10.694 14.966 13.4027 numMergedOcc 0
41 mol 100 unq 6 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 12.6602 7.12017 17.8494 18.4011 5.9143 7.82475 14.966 10.694 13.4027 numMergedOcc 0
42 mol 100 unq 7 iso 0 dist 7.47343 6.56369 12.6515 9.30209 13.887 6.39938 12.6602 7.12017 18.4011 17.8494 5.47563 5.35782 9.82522 13.4844 12.068 numMergedOcc 0
43 mol 100 unq 7 iso 1 dist 7.47343 9.30209 13.887 6.56369 12.6515 6.39938 12.6602 7.12017 17.8494 18.4011 5.47563 5.35782 13.4844 9.82522 12.068 numMergedOcc 0
44 mol 131 unq 0 iso 0 dist 8.40312 7.12972 5.55373 6.85062 10.7062 6.63273 5.89022 8.86329 8.71039 11.6142 3.98662 9.27976 10.0551 10.7579 5.30999 numMergedOcc 0
45 mol 131 unq 0 iso 1 dist 8.40312 6.85062 10.7062 7.12972 5.55373 6.63273 5.89022 8.86329 11.6142 8.71039 3.98662 9.27976 10.7579 10.0551 5.30999 numMergedOcc 0
46 mol 134 unq 0 iso 0 dist 8.94367 6.37586 5.49782 6.49416 8.80819 5.00817 9.4027 8.20836 10.873 13.846 8.06642 7.21868 7.93372 11.988 4.935 numMergedOcc 0
47 mol 134 unq 0 iso 1 dist 8.94367 6.49416 8.80819 6.37586 5.49782 5.00817 9.4027 8.20836 13.846 10.873 8.06642 7.21868 11.988 7.93372 4.935 numMergedOcc 0
48 mol 152 unq 0 iso 0 dist 8.56324 6.70283 7.65448 7.16148 10.6875 5.49936 9.35627 9.77552 8.28642 13.1536 5.39112 6.59889 6.70693 10.4895 4.71678 numMergedOcc 0
49 mol 152 unq 0 iso 1 dist 8.56324 7.16148 10.6875 6.70283 7.65448 5.49936 9.35627 9.77552 13.1536 8.28642 5.39112 6.59889 10.4895 6.70693 4.71678 numMergedOcc 0
50 mol 152 unq 1 iso 0 dist 8.56324 6.70283 7.65448 7.16148 10.6875 5.49936 9.35627 9.77552 8.28642 13.1536 4.84714 8.9192 9.27706 11.6735 7.11377 numMergedOcc 0
51 mol 152 unq 1 iso 1 dist 8.56324 7.16148 10.6875 6.70283 7.65448 5.49936 9.35627 9.77552 13.1536 8.28642 4.84714 8.9192 11.6735 9.27706 7.11377 numMergedOcc 0
52 mol 152 unq 2 iso 0 dist 6.70283 8.56324 7.65448 7.16148 5.49936 10.6875 9.35627 8.28642 9.77552 13.1536 5.39112 6.70693 6.59889 10.4895 4.71678 numMergedOcc 0
53 mol 152 unq 2 iso 1 dist 6.70283 7.16148 5.49936 8.56324 7.65448 10.6875 9.35627 8.28642 13.1536 9.77552 5.39112 6.70693 10.4895 6.59889 4.71678 numMergedOcc 0
54 mol 186 unq 0 iso 0 dist 7.54065 9.70748 13.8792 8.87694 5.74635 14.9058 8.90184 7.20574 18.0414 6.85302 11.0961 6.61112 18.4751 11.456 8.58039 numMergedOcc 0
55 mol 186 unq 0 iso 1 dist 7.54065 8.87694 5.74635 9.70748 13.8792 14.9058 8.90184 7.20574 6.85302 18.0414 11.0961 6.61112 11.456 18.4751 8.58039 numMergedOcc 0
56 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 8.65997 5.22356 7.60506 11.0628 8.38865 12.9778 5.4694 5.0317 5.23634 10.7855 6.91318 7.3164 numMergedOcc 0
57 mol 227 unq 0 iso 1 dist 7.22101 8.65997 5.22356 9.34734 6.99063 7.60506 11.0628 8.38865 5.4694 12.9778 5.0317 5.23634 6.91318 10.7855 7.3164 numMergedOcc 0
58 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 7.56888 10.8658 7.43198 11.0628 8.38865 12.9778 13.9676 5.0317 5.23634 10.7855 11.2661 7.3164 numMergedOcc 0
59 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 9.34734 6.99063 7.43198 11.0628 8.38865 13.9676 12.9778 5.0317 5.23634 11.2661 10.7855 7.3164 numMergedOcc 0
60 mol 227 unq 2 iso 0 dist 7.22101 9.34734 6.99063 7.55216 12.4689 9.51866 11.0628 8.38865 12.9778 16.9219 5.0317 5.23634 10.7855 12.3663 7.3164 numMergedOcc 0
61 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 9.34734 6.99063 9.51866 11.0628 8.38865 16.9219 12.9778 5.0317 5.23634 12.3663 10.7855 7.3164 numMergedOcc 0
62 mol 227 unq 1 iso 0 dist 7.22101 8.65997 5.22356 7.56888 10.8658 9.70012 11.0628 8.38865 5.4694 13.9676 5.0317 5.23634 6.91318 11.2661 7.3164 numMergedOcc 0
63 mol 227 unq 1 iso 1 dist 7.22101 7.56888 10.8658 8.65997 5.22356 9.70012 11.0628 8.38865 13.9676 5.4694 5.0317 5.23634 11.2661 6.91318 7.3164 numMergedOcc 0
64 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.55216 12.4689 12.9332 11.0628 8.38865 5.4694 16.9219 5.0317 5.23634 6.91318 12.3663 7.3164 numMergedOcc 0
65 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 8.65997 5.22356 12.9332 11.0628 8.38865 16.9219 5.4694 5.0317 5.23634 12.3663 6.91318 7.3164 numMergedOcc 0
66 mol 227 unq 2 iso 0 dist 7.22101 7.56888 10.8658 7.55216 12.4689 4.48529 11.0628 8.38865 13.9676 16.9219 5.0317 5.23634 11.2661 12.3663 7.3164 numMergedOcc 0
67 mol 227 unq 2 iso 1 dist 7.22101 7.55216 12.4689 7.56888 10.8658 4.48529 11.0628 8.38865 16.9219 13.9676 5.0317 5.23634 12.3663 11.2661 7.3164 numMergedOcc 0
68 mol 227 unq 3 iso 0 dist 8.65997 9.34734 7.60506 7.22101 5.22356 6.99063 11.0628 5.4694 12.9778 8.38865 5.0317 6.91318 10.7855 5.23634 7.3164 numMergedOcc 0
69 mol 227 unq 3 iso 1 dist 8.65997 7.22101 5.22356 9.34734 7.60506 6.99063 11.0628 5.4694 8.38865 12.9778 5.0317 6.91318 5.23634 10.7855 7.3164 numMergedOcc 0
70 mol 227 unq 4 iso 0 dist 8.65997 9.34734 7.60506 7.56888 9.70012 7.43198 11.0628 5.4694 12.9778 13.9676 5.0317 6.91318 10.7855 11.2661 7.3164 numMergedOcc 0
71 mol 227 unq 4 iso 1 dist 8.65997 7.56888 9.70012 9.34734 7.60506 7.43198 11.0628 5.4694 13.9676 12.9778 5.0317 6.91318 11.2661 10.7855 7.3164 numMergedOcc 0
72 mol 227 unq 5 iso 0 dist 8.65997 9.34734 7.60506 7.55216 12.9332 9.51866 11.0628 5.4694 12.9778 16.9219 5.0317 6.91318 10.7855 12.3663 7.3164 numMergedOcc 0
73 mol 227 unq 5 iso 1 dist 8.65997 7.55216 12.9332 9.34734 7.60506 9.51866 11.0628 5.4694 16.9219 12.9778 5.0317 6.91318 12.3663 10.7855 7.3164 numMergedOcc 0
74 mol 227 unq 4 iso 0 dist 8.65997 7.22101 5.22356 7.56888 9.70012 10.8658 11.0628 5.4694 8.38865 13.9676 5.0317 6.91318 5.23634 11.2661 7.3164 numMergedOcc 0
75 mol 227 unq 4 iso 1 dist 8.65997 7.56888 9.70012 7.22101 5.22356 10.8658 11.0628 5.4694 13.9676 8.38865 5.0317 6.91318 11.2661 5.23634 7.3164 numMergedOcc 0
76 mol 227 unq 5 iso 0 dist 8.65997 7.22101 5.22356 7.55216 12.9332 12.4689 11.0628 5.4694 8.38865 16.9219 5.0317 6.91318 5.23634 12.3663 7.3164 numMergedOcc 0
77 mol 227 unq 5 iso 1 dist 8.65997 7.55216 12.9332 7.22101 5.22356 12.4689 11.0628 5.4694 16.9219 8.38865 5.0317 6.91318 12.3663 5.23634 7.3164 numMergedOcc 0
78 mol 227 unq 5 iso 0 dist 8.65997 7.56888 9.70012 7.55216 12.9332 4.48529 11.0628 5.4694 13.9676 16.9219 5.0317 6.91318 11.2661 12.3663 7.3164 numMergedOcc 0
79 mol 227 unq 5 iso 1 dist 8.65997 7.55216 12.9332 7.56888 9.70012 4.48529 11.0628 5.4694 16.9219 13.9676 5.0317 6.91318 12.3663 11.2661 7.3164 numMergedOcc 0
80 mol 248 unq 0 iso 0 dist 7.69895 7.21521 5.55137 8.2965 10.8081 5.86196 5.99459 6.17052 9.77666 13.0539 4.58289 9.05018 9.33962 11.4547 7.14182 numMergedOcc 0
81 mol 248 unq 0 iso 1 dist 7.69895 8.2965 10.8081 7.21521 5.55137 5.86196 5.99459 6.17052 13.0539 9.77666 4.58289 9.05018 11.4547 9.33962 7.14182 numMergedOcc 0
82 mol 252 unq 0 iso 0 dist 7.19638 8.33025 14.9102 9.2288 11.7918 8.41807 5.25252 6.86945 12.322 12.2615 7.40852 7.15764 13.1298 10.5687 4.34126 numMergedOcc 0
83 mol 252 unq 0 iso 1 dist 7.19638 9.2288 11.7918 8.33025 14.9102 8.41807 5.25252 6.86945 12.2615 12.322 7.40852 7.15764 10.5687 13.1298 4.34126 numMergedOcc 0
84 mol 259 unq 0 iso 0 dist 7.46176 7.88519 6.96053 7.84554 7.64658 4.86771 5.60748 8.55558 10.5803 12.4037 10.067 5.85442 10.3406 12.8546 7.32929 numMergedOcc 0
85 mol 259 unq 0 iso 1 dist 7.46176 7.84554 7.64658 7.88519 6.96053 4.86771 5.60748 8.55558 12.4037 10.5803 10.067 5.85442 12.8546 10.3406 7.32929 numMergedOcc 0
86 mol 259 unq 1 iso 0 dist 7.46176 7.88519 6.96053 7.84554 7.64658 4.86771 5.60748 8.55558 10.5803 12.4037 11.6988 6.95511 9.46361 12.8903 9.55426 numMergedOcc 0
87 mol 259 unq 1 iso 1 dist 7.46176 7.84554 7.64658 7.88519 6.96053 4.86771 5.60748 8.55558 12.4037 10.5803 11.6988 6.95511 12.8903 9.46361 9.55426 numMergedOcc 0
88 mol 259 unq 2 iso 0 dist 7.46176 7.88519 6.96053 9.18903 10.5239 10.4881 5.60748 8.55558 10.5803 14.4498 10.067 5.85442 10.3406 16.0301 7.32929 numMergedOcc 0
89 mol 259 unq 2 iso 1 dist 7.46176 9.18903 10.5239 7.88519 6.96053 10.4881 5.60748 8.55558 14.4498 10.5803 10.067 5.85442 16.0301 10.3406 7.32929 numMergedOcc 0
90 mol 259 unq 3 iso 0 dist 7.46176 7.88519 6.96053 9.18903 10.5239 10.4881 5.60748 8.55558 10.5803 14.4498 11.6988 6.95511 9.46361 17.104 9.55426 numMergedOcc 0
91 mol 259 unq 3 iso 1 dist 7.46176 9.18903 10.5239 7.88519 6.96053 10.4881 5.60748 8.55558 14.4498 10.5803 11.6988 6.95511 17.104 9.46361 9.55426 numMergedOcc 0
92 mol 259 unq 2 iso 0 dist 7.46176 7.84554 7.64658 9.18903 10.5239 5.87173 5.60748 8.55558 12.4037 14.4498 10.067 5.85442 12.8546 16.0301 7.32929 numMergedOcc 0
93 mol 259 unq 2 iso 1 dist 7.46176 9.18903 10.5239 7.84554 7.64658 5.87173 5.60748 8.55558 14.4498 12.4037 10.067 5.85442 16.0301 12.8546 7.32929 numMergedOcc 0
94 mol 259 unq 3 iso 0 dist 7.46176 7.84554 7.64658 9.18903 10.5239 5.87173 5.60748 8.55558 12.4037 14.4498 11.6988 6.95511 12.8903 17.104 9.55426 numMergedOcc 0
95 mol 259 unq 3 iso 1 dist 7.46176 9.18903 10.5239 7.84554 7.64658 5.87173 5.60748 8.55558 14.4498 12.4037 11.6988 6.95511 17.104 12.8903 9.55426 numMergedOcc 0
