0 mol 0 unq 0 iso 0 dist 9.6994 6.26831 6.34883 5.24778 11.2072 6.64713 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 7.15528 6.26831 9.19662 5.24778 11.2263 6.64713 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 8.96553 7.3915 7.43529 14.1378 14.9611 8.77457 numMergedOcc 0
3 mol 19 unq 0 iso 0 dist 7.20519 6.92532 12.3486 4.97119 10.741 6.39966 numMergedOcc 0
4 mol 19 unq 1 iso 0 dist 4.54938 6.92532 5.18512 4.97119 6.41575 6.39966 numMergedOcc 0
5 mol 19 unq 2 iso 0 dist 7.82074 6.36455 5.18512 6.01808 6.41575 6.39966 numMergedOcc 0
6 mol 19 unq 3 iso 0 dist 6.864 6.92532 9.47529 4.97119 6.41423 6.39966 numMergedOcc 0
7 mol 24 unq 0 iso 0 dist 6.86014 6.60423 6.00575 4.32034 7.33768 9.69752 numMergedOcc 0
8 mol 24 unq 1 iso 0 dist 6.86014 6.60423 6.00575 8.52463 7.29868 9.36461 numMergedOcc 0
9 mol 24 unq 2 iso 0 dist 8.86116 6.60423 5.97304 4.32034 12.9284 9.69752 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 8.86116 6.60423 5.97304 8.52463 8.60554 9.36461 numMergedOcc 0
11 mol 24 unq 4 iso 0 dist 5.54419 4.93188 4.33963 5.11617 8.4051 4.90592 numMergedOcc 0
12 mol 24 unq 5 iso 0 dist 5.54419 4.93188 4.33963 10.8238 8.75662 8.16324 numMergedOcc 0
13 mol 24 unq 6 iso 0 dist 7.36323 9.24958 4.33963 13.2229 8.4051 4.90592 numMergedOcc 0
14 mol 24 unq 7 iso 0 dist 7.36323 9.24958 4.33963 6.7828 8.75662 8.16324 numMergedOcc 0
15 mol 26 unq 0 iso 0 dist 8.34347 8.44506 13.2876 10.9837 18.1487 9.5053 numMergedOcc 0
16 mol 56 unq 0 iso 0 dist 8.66265 6.77886 6.03623 10.0962 11.8747 6.99108 numMergedOcc 0
17 mol 58 unq 0 iso 0 dist 6.64012 7.27383 6.37648 5.85698 9.86039 6.62229 numMergedOcc 0
18 mol 60 unq 0 iso 0 dist 8.90863 8.82176 13.0114 5.32257 12.1928 4.65127 numMergedOcc 0
19 mol 60 unq 1 iso 0 dist 8.33063 9.96399 9.62257 11.2415 11.816 4.65127 numMergedOcc 0
20 mol 60 unq 2 iso 0 dist 8.7531 7.55695 9.62257 5.94827 11.816 4.65127 numMergedOcc 0
21 mol 73 unq 0 iso 0 dist 9.38498 7.04044 15.7304 5.11416 13.8696 6.48232 numMergedOcc 0
22 mol 73 unq 1 iso 0 dist 9.96396 7.04044 8.26458 5.11416 9.24757 6.48232 numMergedOcc 0
23 mol 73 unq 2 iso 0 dist 6.19304 8.73253 8.26458 6.56633 9.24757 6.48232 numMergedOcc 0
24 mol 73 unq 3 iso 0 dist 9.75218 7.04044 8.35241 5.11416 13.0145 6.48232 numMergedOcc 0
25 mol 85 unq 0 iso 0 dist 7.97049 7.1589 6.37974 9.29301 9.82915 8.70863 numMergedOcc 0
26 mol 85 unq 1 iso 0 dist 7.95579 8.00777 5.08358 11.165 12.0078 8.70863 numMergedOcc 0
27 mol 85 unq 2 iso 0 dist 6.19965 7.1589 5.08358 9.29301 12.0078 8.70863 numMergedOcc 0
28 mol 98 unq 0 iso 0 dist 5.08437 7.26086 7.32662 7.06961 6.7117 8.43352 numMergedOcc 0
29 mol 98 unq 1 iso 0 dist 6.48948 7.26086 13.4985 7.06961 9.42961 8.43352 numMergedOcc 0
30 mol 98 unq 2 iso 0 dist 6.10456 7.26086 6.934 7.06961 4.47349 8.43352 numMergedOcc 0
31 mol 100 unq 0 iso 0 dist 6.45675 7.12017 9.52882 9.75737 15.8683 9.5669 numMergedOcc 0
32 mol 100 unq 1 iso 0 dist 7.47343 7.12017 12.6602 9.75737 16.5404 9.5669 numMergedOcc 0
33 mol 100 unq 2 iso 0 dist 8.86688 7.12017 14.8674 9.75737 16.3323 9.5669 numMergedOcc 0
34 mol 112 unq 0 iso 0 dist 9.60462 8.729 11.0629 5.39346 10.1861 9.77017 numMergedOcc 0
35 mol 112 unq 1 iso 0 dist 7.45389 8.729 5.48848 5.39346 10.15 9.77017 numMergedOcc 0
36 mol 114 unq 0 iso 0 dist 7.5732 6.34525 11.128 12.7083 19.2926 9.35942 numMergedOcc 0
37 mol 115 unq 0 iso 0 dist 6.11741 5.74857 6.08806 5.22052 11.0224 8.85881 numMergedOcc 0
38 mol 115 unq 1 iso 0 dist 7.88312 5.74857 7.21418 5.22052 12.13 8.85881 numMergedOcc 0
39 mol 119 unq 0 iso 0 dist 8.73993 7.77116 3.78311 7.20179 6.52773 8.8562 numMergedOcc 0
40 mol 119 unq 1 iso 0 dist 8.73993 7.77116 3.78311 9.89358 9.23858 7.91683 numMergedOcc 0
41 mol 120 unq 0 iso 0 dist 8.75408 8.93905 7.27181 8.2619 11.9051 6.03352 numMergedOcc 0
42 mol 120 unq 1 iso 0 dist 6.44653 8.93905 10.5192 8.2619 13.082 6.03352 numMergedOcc 0
43 mol 126 unq 0 iso 0 dist 6.06638 9.46588 5.5703 6.0268 6.30546 5.94233 numMergedOcc 0
44 mol 126 unq 1 iso 0 dist 6.06638 9.46588 5.5703 8.01268 10.0699 8.56219 numMergedOcc 0
45 mol 129 unq 0 iso 0 dist 5.83384 8.03372 6.67948 4.55551 6.28565 9.94578 numMergedOcc 0
46 mol 131 unq 0 iso 0 dist 8.40312 8.86329 5.89022 10.3369 11.8327 8.92828 numMergedOcc 0
47 mol 131 unq 1 iso 0 dist 8.40312 8.86329 5.89022 7.7567 9.90168 5.56627 numMergedOcc 0
48 mol 131 unq 2 iso 0 dist 7.12972 8.71039 5.89022 7.92788 11.8327 8.92828 numMergedOcc 0
49 mol 131 unq 3 iso 0 dist 7.12972 8.71039 5.89022 8.23791 9.90168 5.56627 numMergedOcc 0
50 mol 131 unq 4 iso 0 dist 7.12972 6.92648 9.32969 7.92788 11.8327 5.44303 numMergedOcc 0
51 mol 131 unq 5 iso 0 dist 7.12972 6.92648 9.32969 8.23791 9.90168 8.50562 numMergedOcc 0
52 mol 131 unq 6 iso 0 dist 6.85062 9.29384 9.32969 13.1439 11.8327 5.44303 numMergedOcc 0
53 mol 131 unq 7 iso 0 dist 6.85062 9.29384 9.32969 13.7237 9.90168 8.50562 numMergedOcc 0
54 mol 134 unq 0 iso 0 dist 8.94367 8.20836 9.4027 4.57832 6.23142 9.30061 numMergedOcc 0
55 mol 134 unq 1 iso 0 dist 9.86662 8.20836 5.12325 4.57832 9.94764 9.30061 numMergedOcc 0
56 mol 156 unq 0 iso 0 dist 8.34702 5.38091 10.7023 5.81563 13.0658 7.46845 numMergedOcc 0
57 mol 156 unq 1 iso 0 dist 9.06726 5.38091 9.00862 5.81563 11.5017 7.46845 numMergedOcc 0
58 mol 156 unq 2 iso 0 dist 8.33171 5.38091 11.1271 5.81563 10.0063 7.46845 numMergedOcc 0
59 mol 175 unq 0 iso 0 dist 9.29945 7.35824 12.5754 11.8693 17.6416 5.89564 numMergedOcc 0
60 mol 175 unq 1 iso 0 dist 9.29945 7.35824 12.5754 6.77832 12.6314 5.60528 numMergedOcc 0
61 mol 175 unq 2 iso 0 dist 9.29945 9.17364 10.0424 6.77832 12.6314 5.5995 numMergedOcc 0
62 mol 175 unq 3 iso 0 dist 9.29945 8.0154 4.24624 6.29885 10.7017 8.05247 numMergedOcc 0
63 mol 175 unq 4 iso 0 dist 9.29945 8.0154 4.24624 7.27408 9.39352 9.71028 numMergedOcc 0
64 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 5.6044 14.2254 7.11785 numMergedOcc 0
65 mol 181 unq 1 iso 0 dist 5.98885 6.51749 5.93488 5.6044 9.72611 7.11785 numMergedOcc 0
66 mol 181 unq 2 iso 0 dist 9.09537 7.20392 5.93488 12.9468 9.72611 7.11785 numMergedOcc 0
67 mol 181 unq 3 iso 0 dist 9.15386 6.51749 7.64267 5.6044 10.428 7.11785 numMergedOcc 0
68 mol 186 unq 0 iso 0 dist 9.09754 8.64409 9.97575 11.6919 16.2017 7.46987 numMergedOcc 0
69 mol 188 unq 0 iso 0 dist 9.96154 8.47347 4.46081 6.43967 9.38004 5.73306 numMergedOcc 0
70 mol 204 unq 0 iso 0 dist 7.10633 6.85441 8.17229 5.86489 11.5776 5.91727 numMergedOcc 0
71 mol 204 unq 1 iso 0 dist 8.51516 6.85441 5.74707 5.86489 7.32294 5.91727 numMergedOcc 0
72 mol 205 unq 0 iso 0 dist 6.03031 8.44861 5.28092 13.0658 9.53629 9.17946 numMergedOcc 0
73 mol 205 unq 1 iso 0 dist 7.26832 5.60393 5.28092 14.4523 9.53629 9.17946 numMergedOcc 0
74 mol 209 unq 0 iso 0 dist 7.56373 8.41195 4.90038 6.552 6.85935 7.97418 numMergedOcc 0
75 mol 220 unq 0 iso 0 dist 9.23153 5.45036 6.17628 7.11498 6.59716 5.37796 numMergedOcc 0
76 mol 220 unq 1 iso 0 dist 8.24498 5.45036 10.4136 7.11498 13.1498 5.37796 numMergedOcc 0
77 mol 222 unq 0 iso 0 dist 6.00706 7.862 6.42798 7.75466 9.07471 9.08955 numMergedOcc 0
78 mol 222 unq 1 iso 0 dist 6.00706 7.862 6.42798 12.1951 9.8062 8.88664 numMergedOcc 0
79 mol 222 unq 2 iso 0 dist 6.00706 7.862 6.42798 11.6161 10.6381 7.16819 numMergedOcc 0
80 mol 227 unq 0 iso 0 dist 7.55216 5.87815 10.6244 6.67321 13.0798 7.95359 numMergedOcc 0
81 mol 230 unq 0 iso 0 dist 6.7547 6.41286 6.20661 6.33877 10.9672 8.34416 numMergedOcc 0
82 mol 230 unq 1 iso 0 dist 6.7547 6.41286 6.20661 5.0515 10.3657 6.34832 numMergedOcc 0
83 mol 232 unq 0 iso 0 dist 8.27212 7.83711 8.25884 4.9377 9.40808 6.57921 numMergedOcc 0
84 mol 248 unq 0 iso 0 dist 9.56569 6.77954 6.71566 4.30004 7.16525 7.97135 numMergedOcc 0
85 mol 252 unq 0 iso 0 dist 7.19638 6.86945 5.25252 6.35641 11.0831 7.39391 numMergedOcc 0
86 mol 253 unq 0 iso 0 dist 9.02271 7.77998 13.6942 5.78064 13.07 8.15091 numMergedOcc 0
87 mol 258 unq 0 iso 0 dist 6.60405 6.70815 7.42673 10.8558 15.8417 9.91199 numMergedOcc 0
88 mol 258 unq 1 iso 0 dist 6.42289 7.99477 7.42673 13.2927 15.8417 9.91199 numMergedOcc 0
89 mol 261 unq 0 iso 0 dist 9.14619 5.26434 6.04016 7.39176 10.7876 8.61563 numMergedOcc 0
90 mol 261 unq 1 iso 0 dist 8.45658 8.60026 6.04016 12.8544 10.7876 8.61563 numMergedOcc 0
91 mol 264 unq 0 iso 0 dist 9.17653 6.14323 13.0621 5.24812 13.6942 7.21655 numMergedOcc 0
92 mol 272 unq 0 iso 0 dist 9.97651 9.64269 4.86504 10.2227 12.0724 9.18635 numMergedOcc 0
93 mol 272 unq 1 iso 0 dist 8.33638 8.46061 8.7909 6.32008 13.0773 9.18635 numMergedOcc 0
94 mol 272 unq 2 iso 0 dist 8.46116 8.46061 4.86504 6.32008 12.0724 9.18635 numMergedOcc 0
95 mol 274 unq 0 iso 0 dist 7.56915 9.56685 5.90436 5.29529 8.52587 8.2997 numMergedOcc 0
96 mol 274 unq 1 iso 0 dist 8.49997 9.56685 12.106 5.29529 11.6126 8.2997 numMergedOcc 0
