0 mol 19 unq 0 iso 0 dist 4.54938 8.4674 7.67038 6.41575 4.97119 4.64838 5.18512 6.92532 10.1882 6.39966 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 4.54938 7.82074 5.03957 6.41575 4.97119 6.01808 5.18512 6.92532 6.36455 6.39966 numMergedOcc 0
2 mol 19 unq 2 iso 0 dist 7.82074 8.4674 10.3915 6.41575 6.01808 4.64838 5.18512 6.36455 10.1882 6.39966 numMergedOcc 0
3 mol 19 unq 3 iso 0 dist 7.82074 4.54938 5.03957 6.41575 6.01808 4.97119 5.18512 6.36455 6.92532 6.39966 numMergedOcc 0
4 mol 19 unq 4 iso 0 dist 6.864 4.51865 7.67038 6.41423 4.97119 4.64838 9.47529 6.92532 10.1882 6.39966 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 8.86116 8.38394 6.44287 8.60554 8.52463 12.3994 5.97304 6.60423 9.0934 9.36461 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 8.86116 8.38394 6.44287 8.44664 10.971 5.30734 5.97304 6.60423 9.0934 11.9865 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 8.86116 8.38394 6.44287 9.44691 13.4893 12.505 5.97304 6.60423 9.0934 14.4545 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.86116 6.86014 10.0952 9.41441 14.012 6.66749 6.58998 6.72502 10.7114 11.5841 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 5.54419 7.36323 12.3067 8.4051 5.11617 13.2229 4.33963 4.93188 9.24958 4.90592 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 5.54419 7.36323 12.3067 8.23446 13.1779 6.38336 4.33963 4.93188 9.24958 9.32328 numMergedOcc 0
11 mol 24 unq 6 iso 0 dist 5.54419 7.36323 12.3067 8.75662 10.8238 6.7828 4.33963 4.93188 9.24958 8.16324 numMergedOcc 0
12 mol 24 unq 7 iso 0 dist 7.36323 5.54419 12.3067 8.4051 13.2229 5.11617 4.33963 9.24958 4.93188 4.90592 numMergedOcc 0
13 mol 24 unq 8 iso 0 dist 7.36323 5.54419 12.3067 8.23446 6.38336 13.1779 4.33963 9.24958 4.93188 9.32328 numMergedOcc 0
14 mol 24 unq 9 iso 0 dist 7.36323 5.54419 12.3067 8.75662 6.7828 10.8238 4.33963 9.24958 4.93188 8.16324 numMergedOcc 0
15 mol 43 unq 0 iso 0 dist 8.80331 6.20293 8.13395 8.95682 6.18002 8.38399 9.06158 9.93832 8.60739 14.2655 numMergedOcc 0
16 mol 43 unq 1 iso 0 dist 6.20293 8.80331 8.13395 8.95682 8.38399 6.18002 9.06158 8.60739 9.93832 14.2655 numMergedOcc 0
17 mol 52 unq 0 iso 0 dist 7.34143 9.80098 9.162 6.31696 6.66056 11.6682 8.9759 9.9052 16.7829 11.1601 numMergedOcc 0
18 mol 73 unq 0 iso 0 dist 9.96396 6.19304 5.4148 9.24757 5.11416 6.56633 8.26458 7.04044 8.73253 6.48232 numMergedOcc 0
19 mol 73 unq 1 iso 0 dist 9.96396 8.70481 14.9342 9.24757 5.11416 15.3808 8.26458 7.04044 10.3244 6.48232 numMergedOcc 0
20 mol 73 unq 2 iso 0 dist 6.19304 9.96396 5.4148 9.24757 6.56633 5.11416 8.26458 8.73253 7.04044 6.48232 numMergedOcc 0
21 mol 73 unq 3 iso 0 dist 6.19304 8.70481 13.3558 9.24757 6.56633 15.3808 8.26458 8.73253 10.3244 6.48232 numMergedOcc 0
22 mol 73 unq 4 iso 0 dist 8.70481 9.96396 14.9342 9.24757 15.3808 5.11416 14.8866 8.85586 16.8706 17.0441 numMergedOcc 0
23 mol 73 unq 5 iso 0 dist 8.70481 9.96396 14.9342 9.24757 15.3808 5.11416 8.05119 7.11 12.4407 10.8937 numMergedOcc 0
24 mol 73 unq 6 iso 0 dist 8.70481 6.19304 13.3558 9.24757 15.3808 6.56633 14.8866 8.85586 18.0011 17.0441 numMergedOcc 0
25 mol 73 unq 7 iso 0 dist 8.70481 6.19304 13.3558 9.24757 15.3808 6.56633 8.05119 7.11 12.0613 10.8937 numMergedOcc 0
26 mol 85 unq 0 iso 0 dist 7.97049 7.47541 6.9948 9.82915 9.29301 13.5116 6.37974 7.1589 11.2808 8.70863 numMergedOcc 0
27 mol 85 unq 1 iso 0 dist 7.95579 6.19965 4.26409 7.54568 10.2865 8.09967 5.08358 8.00777 7.1589 12.1999 numMergedOcc 0
28 mol 85 unq 2 iso 0 dist 7.95579 7.66905 10.7229 7.54568 10.2865 4.65335 5.08358 8.00777 11.2808 12.1999 numMergedOcc 0
29 mol 85 unq 3 iso 0 dist 6.19965 7.95579 4.26409 7.54568 8.09967 10.2865 5.08358 7.1589 8.00777 12.1999 numMergedOcc 0
30 mol 85 unq 4 iso 0 dist 6.19965 7.66905 6.9948 7.54568 8.09967 4.65335 5.08358 7.1589 11.2808 12.1999 numMergedOcc 0
31 mol 100 unq 0 iso 0 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 14.9392 9.00544 17.8663 20.8516 numMergedOcc 0
32 mol 100 unq 1 iso 0 dist 7.47343 6.65086 8.8807 8.30845 12.2861 5.80144 12.6602 7.12017 12.6061 13.9603 numMergedOcc 0
33 mol 100 unq 2 iso 0 dist 7.47343 6.65086 8.8807 8.76378 15.5385 12.3577 14.9392 9.00544 17.8663 21.7784 numMergedOcc 0
34 mol 100 unq 3 iso 0 dist 7.47343 6.65086 8.8807 8.76378 15.5385 12.3577 12.6602 7.12017 12.6061 21.4058 numMergedOcc 0
35 mol 100 unq 4 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 14.9392 9.00544 20.2183 20.8516 numMergedOcc 0
36 mol 100 unq 5 iso 0 dist 7.47343 6.56369 12.6515 8.30845 12.2861 10.0456 12.6602 7.12017 18.4011 13.9603 numMergedOcc 0
37 mol 100 unq 6 iso 0 dist 7.47343 6.56369 12.6515 8.76378 15.5385 4.97045 14.9392 9.00544 20.2183 21.7784 numMergedOcc 0
38 mol 100 unq 7 iso 0 dist 7.47343 6.56369 12.6515 8.76378 15.5385 4.97045 12.6602 7.12017 18.4011 21.4058 numMergedOcc 0
39 mol 100 unq 8 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 14.9392 9.00544 22.6977 20.8516 numMergedOcc 0
40 mol 100 unq 9 iso 0 dist 7.47343 9.30209 13.887 8.30845 12.2861 6.70236 12.6602 7.12017 17.8494 13.9603 numMergedOcc 0
41 mol 100 unq 10 iso 0 dist 7.47343 9.30209 13.887 8.76378 15.5385 10.7791 14.9392 9.00544 22.6977 21.7784 numMergedOcc 0
42 mol 100 unq 11 iso 0 dist 7.47343 9.30209 13.887 8.76378 15.5385 10.7791 12.6602 7.12017 17.8494 21.4058 numMergedOcc 0
43 mol 129 unq 0 iso 0 dist 5.83384 9.61051 9.05135 6.28565 4.55551 6.30169 6.67948 8.03372 15.3413 9.94578 numMergedOcc 0
44 mol 129 unq 1 iso 0 dist 5.83384 9.61051 9.05135 7.58957 10.5488 5.68211 6.67948 8.03372 15.3413 13.9747 numMergedOcc 0
45 mol 131 unq 0 iso 0 dist 8.40312 7.12972 5.55373 9.90168 7.7567 8.23791 5.89022 8.86329 8.71039 5.56627 numMergedOcc 0
46 mol 131 unq 1 iso 0 dist 8.40312 6.85062 10.7062 9.90168 7.7567 13.7237 5.89022 8.86329 11.6142 5.56627 numMergedOcc 0
47 mol 131 unq 2 iso 0 dist 7.12972 8.40312 5.55373 9.90168 8.23791 7.7567 5.89022 8.71039 8.86329 5.56627 numMergedOcc 0
48 mol 131 unq 3 iso 0 dist 7.12972 8.40312 5.55373 9.90168 8.23791 7.7567 9.32969 6.92648 11.4206 8.50562 numMergedOcc 0
49 mol 131 unq 4 iso 0 dist 7.12972 6.85062 6.63273 9.90168 8.23791 13.7237 5.89022 8.71039 11.6142 5.56627 numMergedOcc 0
50 mol 131 unq 5 iso 0 dist 7.12972 6.85062 6.63273 9.90168 8.23791 13.7237 9.32969 6.92648 9.29384 8.50562 numMergedOcc 0
51 mol 131 unq 6 iso 0 dist 6.85062 8.40312 10.7062 9.90168 13.7237 7.7567 9.32969 9.29384 11.4206 8.50562 numMergedOcc 0
52 mol 131 unq 7 iso 0 dist 6.85062 7.12972 6.63273 9.90168 13.7237 8.23791 9.32969 9.29384 6.92648 8.50562 numMergedOcc 0
53 mol 134 unq 0 iso 0 dist 6.54501 9.89303 5.79898 7.69991 5.71679 4.60632 5.35679 5.53031 10.0513 10.0154 numMergedOcc 0
54 mol 134 unq 1 iso 0 dist 8.94367 6.37586 5.49782 6.23142 4.57832 5.29786 9.4027 8.20836 10.873 9.30061 numMergedOcc 0
55 mol 134 unq 2 iso 0 dist 8.94367 6.49416 8.80819 6.23142 4.57832 5.71679 9.4027 8.20836 13.846 9.30061 numMergedOcc 0
56 mol 134 unq 3 iso 0 dist 6.49416 8.94367 8.80819 6.23142 5.71679 4.57832 8.46636 5.53031 13.9396 10.0154 numMergedOcc 0
57 mol 134 unq 4 iso 0 dist 6.49416 6.37586 5.00817 6.23142 5.71679 5.29786 8.46636 5.53031 10.1537 10.0154 numMergedOcc 0
58 mol 134 unq 5 iso 0 dist 9.86662 9.71307 5.49782 9.94764 4.57832 5.29786 5.12325 8.20836 10.873 9.30061 numMergedOcc 0
59 mol 156 unq 0 iso 0 dist 8.34702 9.06726 6.31306 7.30357 10.4977 12.3086 6.44255 9.43259 11.1392 13.0899 numMergedOcc 0
60 mol 156 unq 1 iso 0 dist 8.34702 9.06726 6.31306 7.30357 10.4977 12.3086 5.82636 6.2319 9.97732 10.6589 numMergedOcc 0
61 mol 156 unq 2 iso 0 dist 8.34702 9.06726 6.31306 8.61587 12.4274 10.9151 6.44255 9.43259 11.1392 14.9434 numMergedOcc 0
62 mol 156 unq 3 iso 0 dist 8.34702 9.06726 6.31306 8.61587 12.4274 10.9151 5.82636 6.2319 9.97732 13.5954 numMergedOcc 0
63 mol 156 unq 4 iso 0 dist 8.34702 8.33171 6.56229 7.30357 10.4977 7.79535 6.44255 9.43259 12.8935 13.0899 numMergedOcc 0
64 mol 156 unq 5 iso 0 dist 8.34702 8.33171 6.56229 7.30357 10.4977 7.79535 5.82636 6.2319 10.5243 10.6589 numMergedOcc 0
65 mol 156 unq 6 iso 0 dist 8.34702 8.33171 6.56229 8.61587 12.4274 6.98125 6.44255 9.43259 12.8935 14.9434 numMergedOcc 0
66 mol 156 unq 7 iso 0 dist 8.34702 8.33171 6.56229 8.61587 12.4274 6.98125 5.82636 6.2319 10.5243 13.5954 numMergedOcc 0
67 mol 156 unq 8 iso 0 dist 9.06726 8.34702 6.31306 7.30357 12.3086 10.4977 5.82636 9.97732 6.2319 10.6589 numMergedOcc 0
68 mol 156 unq 9 iso 0 dist 9.06726 8.34702 6.31306 8.61587 10.9151 12.4274 5.82636 9.97732 6.2319 13.5954 numMergedOcc 0
69 mol 156 unq 10 iso 0 dist 9.06726 8.33171 5.64555 7.30357 12.3086 7.79535 5.82636 9.97732 10.5243 10.6589 numMergedOcc 0
70 mol 156 unq 11 iso 0 dist 9.06726 8.33171 5.64555 8.61587 10.9151 6.98125 5.82636 9.97732 10.5243 13.5954 numMergedOcc 0
71 mol 181 unq 0 iso 0 dist 9.1374 8.03334 13.2049 6.2479 6.6251 7.81713 13.8722 6.51749 15.2991 10.8541 numMergedOcc 0
72 mol 181 unq 1 iso 0 dist 5.98885 9.09537 10.1912 9.72611 5.6044 12.9468 5.93488 6.51749 7.20392 7.11785 numMergedOcc 0
73 mol 181 unq 2 iso 0 dist 5.98885 9.09537 10.1912 7.99195 6.6251 10.09 5.93488 6.51749 7.20392 10.8541 numMergedOcc 0
74 mol 181 unq 3 iso 0 dist 9.09537 5.98885 10.1912 9.72611 12.9468 5.6044 5.93488 7.20392 6.51749 7.11785 numMergedOcc 0
75 mol 181 unq 4 iso 0 dist 9.09537 5.98885 10.1912 7.99195 10.09 6.6251 5.93488 7.20392 6.51749 10.8541 numMergedOcc 0
76 mol 205 unq 0 iso 0 dist 6.03031 7.26832 7.38516 6.03688 8.15057 12.4957 5.28092 8.44861 5.60393 11.2584 numMergedOcc 0
77 mol 205 unq 1 iso 0 dist 6.03031 7.80463 8.18714 6.03688 8.15057 6.09749 5.28092 8.44861 11.3521 11.2584 numMergedOcc 0
78 mol 205 unq 2 iso 0 dist 7.26832 6.03031 7.38516 6.03688 12.4957 8.15057 5.28092 5.60393 8.44861 11.2584 numMergedOcc 0
79 mol 205 unq 3 iso 0 dist 7.26832 7.80463 13.8543 6.03688 12.4957 6.09749 5.28092 5.60393 11.3521 11.2584 numMergedOcc 0
80 mol 222 unq 0 iso 0 dist 6.00706 7.54212 6.8425 9.07471 7.75466 13.3447 6.42798 7.862 12.5287 9.08955 numMergedOcc 0
81 mol 227 unq 0 iso 0 dist 7.22101 9.34734 6.99063 7.43071 6.35849 6.00424 11.0628 8.38865 12.9778 14.3567 numMergedOcc 0
82 mol 227 unq 1 iso 0 dist 7.22101 9.34734 6.99063 5.41321 10.9607 10.7656 11.0628 8.38865 12.9778 12.135 numMergedOcc 0
83 mol 227 unq 2 iso 0 dist 7.22101 8.65997 5.22356 7.43071 6.35849 10.204 11.0628 8.38865 5.4694 14.3567 numMergedOcc 0
84 mol 227 unq 3 iso 0 dist 7.22101 8.65997 5.22356 5.41321 10.9607 9.72615 11.0628 8.38865 5.4694 12.135 numMergedOcc 0
85 mol 227 unq 4 iso 0 dist 7.22101 7.56888 10.8658 7.43071 6.35849 9.76735 11.0628 8.38865 13.9676 14.3567 numMergedOcc 0
86 mol 227 unq 5 iso 0 dist 7.22101 7.56888 10.8658 5.41321 10.9607 5.10635 11.0628 8.38865 13.9676 12.135 numMergedOcc 0
87 mol 227 unq 6 iso 0 dist 7.22101 7.55216 12.4689 7.43071 6.35849 9.32448 11.0628 8.38865 16.9219 14.3567 numMergedOcc 0
88 mol 227 unq 7 iso 0 dist 7.22101 7.55216 12.4689 5.41321 10.9607 6.48027 11.0628 8.38865 16.9219 12.135 numMergedOcc 0
89 mol 227 unq 8 iso 0 dist 8.65997 9.34734 7.60506 7.43071 10.204 6.00424 11.0628 5.4694 12.9778 14.3567 numMergedOcc 0
90 mol 227 unq 9 iso 0 dist 8.65997 9.34734 7.60506 5.41321 9.72615 10.7656 11.0628 5.4694 12.9778 12.135 numMergedOcc 0
91 mol 227 unq 10 iso 0 dist 8.65997 7.22101 5.22356 7.43071 10.204 6.35849 11.0628 5.4694 8.38865 14.3567 numMergedOcc 0
92 mol 227 unq 11 iso 0 dist 8.65997 7.22101 5.22356 5.41321 9.72615 10.9607 11.0628 5.4694 8.38865 12.135 numMergedOcc 0
93 mol 227 unq 12 iso 0 dist 8.65997 7.56888 9.70012 7.43071 10.204 9.76735 11.0628 5.4694 13.9676 14.3567 numMergedOcc 0
94 mol 227 unq 13 iso 0 dist 8.65997 7.56888 9.70012 5.41321 9.72615 5.10635 11.0628 5.4694 13.9676 12.135 numMergedOcc 0
95 mol 227 unq 14 iso 0 dist 8.65997 7.55216 12.9332 7.43071 10.204 9.32448 11.0628 5.4694 16.9219 14.3567 numMergedOcc 0
96 mol 227 unq 15 iso 0 dist 8.65997 7.55216 12.9332 5.41321 9.72615 6.48027 11.0628 5.4694 16.9219 12.135 numMergedOcc 0
97 mol 227 unq 16 iso 0 dist 7.55216 9.34734 9.51866 7.43071 9.32448 6.00424 10.6244 5.87815 13.9889 11.5062 numMergedOcc 0
98 mol 227 unq 17 iso 0 dist 7.55216 9.34734 9.51866 5.41321 6.48027 10.7656 10.6244 5.87815 13.9889 11.0303 numMergedOcc 0
99 mol 227 unq 18 iso 0 dist 7.55216 7.22101 12.4689 7.43071 9.32448 6.35849 10.6244 5.87815 16.0894 11.5062 numMergedOcc 0
100 mol 227 unq 19 iso 0 dist 7.55216 7.22101 12.4689 5.41321 6.48027 10.9607 10.6244 5.87815 16.0894 11.0303 numMergedOcc 0
101 mol 227 unq 20 iso 0 dist 7.55216 8.65997 12.9332 7.43071 9.32448 10.204 10.6244 5.87815 17.8603 11.5062 numMergedOcc 0
102 mol 227 unq 21 iso 0 dist 7.55216 8.65997 12.9332 5.41321 6.48027 9.72615 10.6244 5.87815 17.8603 11.0303 numMergedOcc 0
103 mol 227 unq 22 iso 0 dist 7.55216 7.56888 4.48529 7.43071 9.32448 9.76735 10.6244 5.87815 10.3595 11.5062 numMergedOcc 0
104 mol 227 unq 23 iso 0 dist 7.55216 7.56888 4.48529 5.41321 6.48027 5.10635 10.6244 5.87815 10.3595 11.0303 numMergedOcc 0
