0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 14.7759 9.68596 11.024 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.41585 8.80762 12.3097 14.7759 9.68596 15.0497 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 4.54938 6.92532 5.18512 4.97119 6.41575 6.39966 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 7.82074 6.36455 5.18512 6.01808 6.41575 6.39966 numMergedOcc 0
4 mol 19 unq 2 iso 0 dist 6.864 6.92532 9.47529 4.97119 6.41423 6.39966 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 4.32034 7.33768 9.69752 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 6.86014 6.60423 6.00575 8.67951 9.01567 12.7806 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 6.86014 6.60423 6.00575 8.52463 7.29868 9.36461 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 8.86116 6.72502 6.58998 14.012 9.41441 11.5841 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 8.86116 6.60423 5.97304 8.52463 8.60554 9.36461 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 8.86116 6.60423 5.97304 10.971 8.44664 11.9865 numMergedOcc 0
11 mol 24 unq 6 iso 0 dist 8.86116 6.60423 5.97304 13.4893 9.44691 14.4545 numMergedOcc 0
12 mol 24 unq 7 iso 0 dist 5.54419 4.93188 4.33963 5.11617 8.4051 4.90592 numMergedOcc 0
13 mol 24 unq 8 iso 0 dist 5.54419 4.93188 4.33963 13.1779 8.23446 9.32328 numMergedOcc 0
14 mol 24 unq 9 iso 0 dist 5.54419 4.93188 4.33963 10.8238 8.75662 8.16324 numMergedOcc 0
15 mol 24 unq 10 iso 0 dist 7.36323 9.24958 4.33963 13.2229 8.4051 4.90592 numMergedOcc 0
16 mol 24 unq 11 iso 0 dist 7.36323 9.24958 4.33963 6.38336 8.23446 9.32328 numMergedOcc 0
17 mol 24 unq 12 iso 0 dist 7.36323 9.24958 4.33963 6.7828 8.75662 8.16324 numMergedOcc 0
18 mol 25 unq 0 iso 0 dist 5.04899 6.6492 9.20601 5.77929 8.87757 11.4352 numMergedOcc 0
19 mol 25 unq 1 iso 0 dist 7.57578 6.90155 9.36158 6.08585 8.50222 12.7162 numMergedOcc 0
20 mol 25 unq 2 iso 0 dist 7.17969 6.90155 10.1525 6.08585 7.55264 12.7162 numMergedOcc 0
21 mol 25 unq 3 iso 0 dist 6.03987 5.81959 8.4666 5.68392 6.85556 11.3646 numMergedOcc 0
22 mol 43 unq 0 iso 0 dist 8.80331 9.93832 9.06158 6.18002 8.95682 14.2655 numMergedOcc 0
23 mol 43 unq 1 iso 0 dist 6.20293 8.60739 9.06158 8.38399 8.95682 14.2655 numMergedOcc 0
24 mol 52 unq 0 iso 0 dist 7.34143 9.9052 8.9759 6.66056 6.31696 11.1601 numMergedOcc 0
25 mol 73 unq 0 iso 0 dist 9.96396 7.04044 8.26458 5.11416 9.24757 6.48232 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 6.19304 8.73253 8.26458 6.56633 9.24757 6.48232 numMergedOcc 0
27 mol 73 unq 2 iso 0 dist 8.70481 8.85586 14.8866 15.3808 9.24757 17.0441 numMergedOcc 0
28 mol 73 unq 3 iso 0 dist 8.70481 7.11 8.05119 15.3808 9.24757 10.8937 numMergedOcc 0
29 mol 85 unq 0 iso 0 dist 7.97049 7.1589 6.37974 9.29301 9.82915 8.70863 numMergedOcc 0
30 mol 85 unq 1 iso 0 dist 7.95579 8.00777 5.08358 10.2865 7.54568 12.1999 numMergedOcc 0
31 mol 85 unq 2 iso 0 dist 6.19965 7.1589 5.08358 8.09967 7.54568 12.1999 numMergedOcc 0
32 mol 98 unq 0 iso 0 dist 5.08437 7.26086 7.32662 7.06961 6.7117 8.43352 numMergedOcc 0
33 mol 98 unq 1 iso 0 dist 6.10456 7.26086 6.934 7.06961 4.47349 8.43352 numMergedOcc 0
34 mol 100 unq 0 iso 0 dist 7.47343 9.00544 14.9392 12.2861 8.30845 20.8516 numMergedOcc 0
35 mol 100 unq 1 iso 0 dist 7.47343 9.00544 14.9392 15.5385 8.76378 21.7784 numMergedOcc 0
36 mol 100 unq 2 iso 0 dist 7.47343 7.12017 12.6602 12.2861 8.30845 13.9603 numMergedOcc 0
37 mol 100 unq 3 iso 0 dist 7.47343 7.12017 12.6602 15.5385 8.76378 21.4058 numMergedOcc 0
38 mol 119 unq 0 iso 0 dist 8.73993 7.77116 3.78311 7.20179 6.52773 8.8562 numMergedOcc 0
39 mol 119 unq 1 iso 0 dist 8.73993 7.77116 3.78311 9.89358 9.23858 7.91683 numMergedOcc 0
40 mol 126 unq 0 iso 0 dist 6.06638 9.46588 5.5703 6.0268 6.30546 5.94233 numMergedOcc 0
41 mol 129 unq 0 iso 0 dist 5.83384 8.03372 6.67948 4.55551 6.28565 9.94578 numMergedOcc 0
42 mol 129 unq 1 iso 0 dist 5.83384 8.03372 6.67948 10.5488 7.58957 13.9747 numMergedOcc 0
43 mol 131 unq 0 iso 0 dist 8.40312 8.86329 5.89022 7.7567 9.90168 5.56627 numMergedOcc 0
44 mol 131 unq 1 iso 0 dist 7.12972 8.71039 5.89022 8.23791 9.90168 5.56627 numMergedOcc 0
45 mol 131 unq 2 iso 0 dist 7.12972 6.92648 9.32969 8.23791 9.90168 8.50562 numMergedOcc 0
46 mol 131 unq 3 iso 0 dist 6.85062 9.29384 9.32969 13.7237 9.90168 8.50562 numMergedOcc 0
47 mol 134 unq 0 iso 0 dist 6.54501 5.53031 5.35679 5.71679 7.69991 10.0154 numMergedOcc 0
48 mol 134 unq 1 iso 0 dist 8.94367 8.20836 9.4027 4.57832 6.23142 9.30061 numMergedOcc 0
49 mol 134 unq 2 iso 0 dist 6.49416 5.53031 8.46636 5.71679 6.23142 10.0154 numMergedOcc 0
50 mol 134 unq 3 iso 0 dist 9.86662 8.20836 5.12325 4.57832 9.94764 9.30061 numMergedOcc 0
51 mol 156 unq 0 iso 0 dist 8.34702 9.43259 6.44255 10.4977 7.30357 13.0899 numMergedOcc 0
52 mol 156 unq 1 iso 0 dist 8.34702 9.43259 6.44255 12.4274 8.61587 14.9434 numMergedOcc 0
53 mol 156 unq 2 iso 0 dist 8.34702 6.2319 5.82636 10.4977 7.30357 10.6589 numMergedOcc 0
54 mol 156 unq 3 iso 0 dist 8.34702 6.2319 5.82636 12.4274 8.61587 13.5954 numMergedOcc 0
55 mol 156 unq 4 iso 0 dist 9.06726 9.97732 5.82636 12.3086 7.30357 10.6589 numMergedOcc 0
56 mol 156 unq 5 iso 0 dist 9.06726 9.97732 5.82636 10.9151 8.61587 13.5954 numMergedOcc 0
57 mol 175 unq 0 iso 0 dist 9.29945 8.0154 4.24624 7.27408 9.39352 9.71028 numMergedOcc 0
58 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 6.6251 6.2479 10.8541 numMergedOcc 0
59 mol 181 unq 1 iso 0 dist 5.98885 6.51749 5.93488 5.6044 9.72611 7.11785 numMergedOcc 0
60 mol 181 unq 2 iso 0 dist 5.98885 6.51749 5.93488 6.6251 7.99195 10.8541 numMergedOcc 0
61 mol 181 unq 3 iso 0 dist 9.09537 7.20392 5.93488 12.9468 9.72611 7.11785 numMergedOcc 0
62 mol 181 unq 4 iso 0 dist 9.09537 7.20392 5.93488 10.09 7.99195 10.8541 numMergedOcc 0
63 mol 204 unq 0 iso 0 dist 8.51516 6.85441 5.74707 5.86489 7.32294 5.91727 numMergedOcc 0
64 mol 205 unq 0 iso 0 dist 6.03031 8.44861 5.28092 8.15057 6.03688 11.2584 numMergedOcc 0
65 mol 205 unq 1 iso 0 dist 7.26832 5.60393 5.28092 12.4957 6.03688 11.2584 numMergedOcc 0
66 mol 209 unq 0 iso 0 dist 7.56373 8.41195 4.90038 6.552 6.85935 7.97418 numMergedOcc 0
67 mol 220 unq 0 iso 0 dist 9.23153 5.45036 6.17628 7.11498 6.59716 5.37796 numMergedOcc 0
68 mol 220 unq 1 iso 0 dist 9.23153 9.97586 14.0253 7.11498 6.59716 15.9038 numMergedOcc 0
69 mol 222 unq 0 iso 0 dist 6.00706 7.862 6.42798 7.75466 9.07471 9.08955 numMergedOcc 0
70 mol 227 unq 0 iso 0 dist 7.22101 8.38865 11.0628 6.35849 7.43071 14.3567 numMergedOcc 0
71 mol 227 unq 1 iso 0 dist 7.22101 8.38865 11.0628 10.9607 5.41321 12.135 numMergedOcc 0
72 mol 227 unq 2 iso 0 dist 8.65997 5.4694 11.0628 10.204 7.43071 14.3567 numMergedOcc 0
73 mol 227 unq 3 iso 0 dist 8.65997 5.4694 11.0628 9.72615 5.41321 12.135 numMergedOcc 0
74 mol 227 unq 4 iso 0 dist 7.55216 5.87815 10.6244 9.32448 7.43071 11.5062 numMergedOcc 0
75 mol 227 unq 5 iso 0 dist 7.55216 5.87815 10.6244 6.48027 5.41321 11.0303 numMergedOcc 0
76 mol 227 unq 6 iso 0 dist 7.09863 8.38865 12.9587 6.35849 6.02296 14.3567 numMergedOcc 0
77 mol 229 unq 0 iso 0 dist 8.22528 8.92743 11.6847 6.65022 8.66332 13.9637 numMergedOcc 0
78 mol 232 unq 0 iso 0 dist 8.27212 7.83711 8.25884 4.9377 9.40808 6.57921 numMergedOcc 0
79 mol 248 unq 0 iso 0 dist 9.56569 6.77954 6.71566 4.30004 7.16525 7.97135 numMergedOcc 0
80 mol 258 unq 0 iso 0 dist 6.60405 9.53063 6.6525 5.63675 7.21311 12.3072 numMergedOcc 0
81 mol 274 unq 0 iso 0 dist 7.56915 9.56685 5.90436 5.29529 8.52587 8.2997 numMergedOcc 0
82 mol 274 unq 1 iso 0 dist 7.56915 8.49922 9.27829 5.29529 8.52587 10.4781 numMergedOcc 0
