0 mol 1 unq 0 iso 0 dist 9.12196 7.94662 7.73435 14.3332 10.5521 8.26708 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 8.26708 10.5521 7.73435 14.3332 7.94662 9.12196 numMergedOcc 0
2 mol 1 unq 1 iso 0 dist 9.12196 7.94662 7.73435 9.00903 7.4817 6.09918 numMergedOcc 0
3 mol 1 unq 1 iso 1 dist 6.09918 7.4817 7.73435 9.00903 7.94662 9.12196 numMergedOcc 0
4 mol 8 unq 0 iso 0 dist 6.82379 11.0223 5.00267 9.88063 5.02333 7.8922 numMergedOcc 0
5 mol 8 unq 0 iso 1 dist 7.8922 5.02333 5.00267 9.88063 11.0223 6.82379 numMergedOcc 0
6 mol 8 unq 1 iso 0 dist 6.24978 6.80407 5.00267 11.0287 5.02333 7.8922 numMergedOcc 0
7 mol 8 unq 1 iso 1 dist 7.8922 5.02333 5.00267 11.0287 6.80407 6.24978 numMergedOcc 0
8 mol 8 unq 2 iso 0 dist 9.66439 8.44094 5.00267 14.5532 5.02333 7.8922 numMergedOcc 0
9 mol 8 unq 2 iso 1 dist 7.8922 5.02333 5.00267 14.5532 8.44094 9.66439 numMergedOcc 0
10 mol 8 unq 3 iso 0 dist 7.8922 5.02333 5.00267 10.5239 6.32152 7.3915 numMergedOcc 0
11 mol 8 unq 3 iso 1 dist 7.3915 6.32152 5.00267 10.5239 5.02333 7.8922 numMergedOcc 0
12 mol 9 unq 0 iso 0 dist 7.05346 6.119 5.55437 15.1483 11.0722 9.78006 numMergedOcc 0
13 mol 9 unq 0 iso 1 dist 9.78006 11.0722 5.55437 15.1483 6.119 7.05346 numMergedOcc 0
14 mol 24 unq 0 iso 0 dist 6.60423 6.58998 9.38831 8.86116 5.97304 6.72502 numMergedOcc 0
15 mol 24 unq 0 iso 1 dist 6.72502 5.97304 9.38831 8.86116 6.58998 6.60423 numMergedOcc 0
16 mol 24 unq 1 iso 0 dist 6.72502 11.2106 9.40479 13.2433 9.48345 4.93188 numMergedOcc 0
17 mol 24 unq 1 iso 1 dist 4.93188 9.48345 9.40479 13.2433 11.2106 6.72502 numMergedOcc 0
18 mol 24 unq 2 iso 0 dist 6.72502 11.2106 9.40479 15.5296 13.1456 9.24958 numMergedOcc 0
19 mol 24 unq 2 iso 1 dist 9.24958 13.1456 9.40479 15.5296 11.2106 6.72502 numMergedOcc 0
20 mol 24 unq 1 iso 0 dist 6.72502 5.97304 9.38831 10.5273 11.0493 7.83786 numMergedOcc 0
21 mol 24 unq 1 iso 1 dist 7.83786 11.0493 9.38831 10.5273 5.97304 6.72502 numMergedOcc 0
22 mol 43 unq 0 iso 0 dist 9.93832 7.05402 7.31982 10.5523 5.64171 8.44903 numMergedOcc 0
23 mol 43 unq 0 iso 1 dist 8.44903 5.64171 7.31982 10.5523 7.05402 9.93832 numMergedOcc 0
24 mol 43 unq 1 iso 0 dist 8.60739 5.48048 7.31982 5.73819 5.64171 8.44903 numMergedOcc 0
25 mol 43 unq 1 iso 1 dist 8.44903 5.64171 7.31982 5.73819 5.48048 8.60739 numMergedOcc 0
26 mol 115 unq 0 iso 0 dist 5.72642 7.21418 8.71286 7.88312 7.3094 5.74857 numMergedOcc 0
27 mol 115 unq 0 iso 1 dist 5.74857 7.3094 8.71286 7.88312 7.21418 5.72642 numMergedOcc 0
28 mol 119 unq 0 iso 0 dist 7.99857 4.99056 8.03035 10.3704 4.91132 7.77116 numMergedOcc 0
29 mol 119 unq 0 iso 1 dist 7.77116 4.91132 8.03035 10.3704 4.99056 7.99857 numMergedOcc 0
30 mol 119 unq 1 iso 0 dist 8.56342 3.78311 8.03035 8.73993 4.91132 7.77116 numMergedOcc 0
31 mol 119 unq 1 iso 1 dist 7.77116 4.91132 8.03035 8.73993 3.78311 8.56342 numMergedOcc 0
32 mol 119 unq 2 iso 0 dist 7.77116 6.08167 7.6968 8.73993 3.78311 6.37542 numMergedOcc 0
33 mol 119 unq 2 iso 1 dist 6.37542 3.78311 7.6968 8.73993 6.08167 7.77116 numMergedOcc 0
34 mol 152 unq 0 iso 0 dist 9.77552 7.2238 6.39031 10.399 5.70788 8.35555 numMergedOcc 0
35 mol 152 unq 0 iso 1 dist 8.35555 5.70788 6.39031 10.399 7.2238 9.77552 numMergedOcc 0
36 mol 152 unq 1 iso 0 dist 8.28642 5.59336 6.39031 5.87555 5.70788 8.35555 numMergedOcc 0
37 mol 152 unq 1 iso 1 dist 8.35555 5.70788 6.39031 5.87555 5.59336 8.28642 numMergedOcc 0
38 mol 156 unq 0 iso 0 dist 9.31851 10.7975 4.9941 13.584 5.82636 7.73169 numMergedOcc 0
39 mol 156 unq 0 iso 1 dist 7.73169 5.82636 4.9941 13.584 10.7975 9.31851 numMergedOcc 0
40 mol 156 unq 1 iso 0 dist 9.31851 13.6634 8.06913 13.584 5.82636 5.38091 numMergedOcc 0
41 mol 156 unq 1 iso 1 dist 5.38091 5.82636 8.06913 13.584 13.6634 9.31851 numMergedOcc 0
42 mol 156 unq 2 iso 0 dist 9.43259 10.7023 5.90883 8.34702 6.44255 5.38091 numMergedOcc 0
43 mol 156 unq 2 iso 1 dist 5.38091 6.44255 5.90883 8.34702 10.7023 9.43259 numMergedOcc 0
44 mol 156 unq 3 iso 0 dist 6.2319 5.71107 4.9941 8.34702 5.82636 7.73169 numMergedOcc 0
45 mol 156 unq 3 iso 1 dist 7.73169 5.82636 4.9941 8.34702 5.71107 6.2319 numMergedOcc 0
46 mol 156 unq 4 iso 0 dist 6.2319 10.7023 8.06913 8.34702 5.82636 5.38091 numMergedOcc 0
47 mol 156 unq 4 iso 1 dist 5.38091 5.82636 8.06913 8.34702 10.7023 6.2319 numMergedOcc 0
48 mol 156 unq 4 iso 0 dist 7.73169 5.82636 4.9941 9.06726 11.2067 9.97732 numMergedOcc 0
49 mol 156 unq 4 iso 1 dist 9.97732 11.2067 4.9941 9.06726 5.82636 7.73169 numMergedOcc 0
50 mol 156 unq 5 iso 0 dist 5.38091 5.82636 8.06913 9.06726 9.00862 9.97732 numMergedOcc 0
51 mol 156 unq 5 iso 1 dist 9.97732 9.00862 8.06913 9.06726 5.82636 5.38091 numMergedOcc 0
52 mol 175 unq 0 iso 0 dist 8.0154 12.3408 7.32419 9.29945 4.24624 5.4969 numMergedOcc 0
53 mol 175 unq 0 iso 1 dist 5.4969 4.24624 7.32419 9.29945 12.3408 8.0154 numMergedOcc 0
54 mol 175 unq 1 iso 0 dist 8.0154 8.68081 8.31961 9.29945 4.24624 6.4318 numMergedOcc 0
55 mol 175 unq 1 iso 1 dist 6.4318 4.24624 8.31961 9.29945 8.68081 8.0154 numMergedOcc 0
56 mol 186 unq 0 iso 0 dist 7.20574 12.7155 7.55358 16.1971 9.27818 9.56197 numMergedOcc 0
57 mol 186 unq 0 iso 1 dist 9.56197 9.27818 7.55358 16.1971 12.7155 7.20574 numMergedOcc 0
58 mol 186 unq 1 iso 0 dist 7.20574 12.7155 7.55358 18.5854 13.0197 7.24795 numMergedOcc 0
59 mol 186 unq 1 iso 1 dist 7.24795 13.0197 7.55358 18.5854 12.7155 7.20574 numMergedOcc 0
60 mol 186 unq 2 iso 0 dist 7.20574 12.7155 7.55358 10.7914 4.37002 8.64409 numMergedOcc 0
61 mol 186 unq 2 iso 1 dist 8.64409 4.37002 7.55358 10.7914 12.7155 7.20574 numMergedOcc 0
62 mol 186 unq 3 iso 0 dist 7.20574 12.7155 7.55358 16.7729 9.72941 7.60202 numMergedOcc 0
63 mol 186 unq 3 iso 1 dist 7.60202 9.72941 7.55358 16.7729 12.7155 7.20574 numMergedOcc 0
64 mol 186 unq 1 iso 0 dist 9.56197 9.27818 7.55358 15.6447 9.97575 6.85302 numMergedOcc 0
65 mol 186 unq 1 iso 1 dist 6.85302 9.97575 7.55358 15.6447 9.27818 9.56197 numMergedOcc 0
66 mol 186 unq 2 iso 0 dist 9.56197 9.55926 7.60991 15.6447 9.97575 9.98215 numMergedOcc 0
67 mol 186 unq 2 iso 1 dist 9.98215 9.97575 7.60991 15.6447 9.55926 9.56197 numMergedOcc 0
68 mol 186 unq 2 iso 0 dist 7.24795 13.0197 7.55358 16.9992 9.97575 6.85302 numMergedOcc 0
69 mol 186 unq 2 iso 1 dist 6.85302 9.97575 7.55358 16.9992 13.0197 7.24795 numMergedOcc 0
70 mol 186 unq 3 iso 0 dist 7.24795 12.9082 7.60991 16.9992 9.97575 9.98215 numMergedOcc 0
71 mol 186 unq 3 iso 1 dist 9.98215 9.97575 7.60991 16.9992 12.9082 7.24795 numMergedOcc 0
72 mol 186 unq 3 iso 0 dist 8.64409 4.37002 7.55358 9.09754 9.97575 6.85302 numMergedOcc 0
73 mol 186 unq 3 iso 1 dist 6.85302 9.97575 7.55358 9.09754 4.37002 8.64409 numMergedOcc 0
74 mol 186 unq 4 iso 0 dist 8.64409 4.64235 7.60991 9.09754 9.97575 9.98215 numMergedOcc 0
75 mol 186 unq 4 iso 1 dist 9.98215 9.97575 7.60991 9.09754 4.64235 8.64409 numMergedOcc 0
76 mol 186 unq 4 iso 0 dist 7.60202 9.72941 7.55358 14.1487 9.97575 6.85302 numMergedOcc 0
77 mol 186 unq 4 iso 1 dist 6.85302 9.97575 7.55358 14.1487 9.72941 7.60202 numMergedOcc 0
78 mol 186 unq 5 iso 0 dist 7.60202 5.39885 7.60991 14.1487 9.97575 9.98215 numMergedOcc 0
79 mol 186 unq 5 iso 1 dist 9.98215 9.97575 7.60991 14.1487 5.39885 7.60202 numMergedOcc 0
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81 mol 225 unq 0 iso 1 dist 8.87609 11.5135 6.53728 13.3684 4.76151 6.6561 numMergedOcc 0
82 mol 227 unq 0 iso 0 dist 8.38865 10.5813 9.56257 7.22101 11.0628 8.03442 numMergedOcc 0
83 mol 227 unq 0 iso 1 dist 8.03442 11.0628 9.56257 7.22101 10.5813 8.38865 numMergedOcc 0
84 mol 227 unq 1 iso 0 dist 5.4694 7.22396 9.56257 8.65997 11.0628 8.03442 numMergedOcc 0
85 mol 227 unq 1 iso 1 dist 8.03442 11.0628 9.56257 8.65997 7.22396 5.4694 numMergedOcc 0
86 mol 238 unq 0 iso 0 dist 6.66971 10.7508 9.89583 13.6591 14.1055 5.52379 numMergedOcc 0
87 mol 238 unq 0 iso 1 dist 5.52379 14.1055 9.89583 13.6591 10.7508 6.66971 numMergedOcc 0
88 mol 238 unq 1 iso 0 dist 6.4398 5.87253 9.89583 10.0419 14.1055 5.52379 numMergedOcc 0
89 mol 238 unq 1 iso 1 dist 5.52379 14.1055 9.89583 10.0419 5.87253 6.4398 numMergedOcc 0
90 mol 238 unq 2 iso 0 dist 7.32982 10.7551 9.89583 12.2442 14.1055 5.52379 numMergedOcc 0
91 mol 238 unq 2 iso 1 dist 5.52379 14.1055 9.89583 12.2442 10.7551 7.32982 numMergedOcc 0
92 mol 252 unq 0 iso 0 dist 6.53679 6.28227 8.55481 10.5136 7.63376 6.86945 numMergedOcc 0
93 mol 252 unq 0 iso 1 dist 6.86945 7.63376 8.55481 10.5136 6.28227 6.53679 numMergedOcc 0
94 mol 252 unq 1 iso 0 dist 7.50201 5.25252 8.55481 7.19638 7.63376 6.86945 numMergedOcc 0
95 mol 252 unq 1 iso 1 dist 6.86945 7.63376 8.55481 7.19638 5.25252 7.50201 numMergedOcc 0
96 mol 258 unq 0 iso 0 dist 6.70815 6.6525 6.47194 6.60405 7.42673 9.53063 numMergedOcc 0
97 mol 258 unq 0 iso 1 dist 9.53063 7.42673 6.47194 6.60405 6.6525 6.70815 numMergedOcc 0
98 mol 258 unq 1 iso 0 dist 7.99477 5.27959 6.47194 6.42289 7.42673 9.53063 numMergedOcc 0
99 mol 258 unq 1 iso 1 dist 9.53063 7.42673 6.47194 6.42289 5.27959 7.99477 numMergedOcc 0
100 mol 264 unq 0 iso 0 dist 7.52281 4.48907 5.74568 10.4298 6.84156 6.04162 numMergedOcc 0
101 mol 264 unq 0 iso 1 dist 6.04162 6.84156 5.74568 10.4298 4.48907 7.52281 numMergedOcc 0
102 mol 264 unq 1 iso 0 dist 7.52281 4.48907 5.74568 9.90113 9.37297 6.14323 numMergedOcc 0
103 mol 264 unq 1 iso 1 dist 6.14323 9.37297 5.74568 9.90113 4.48907 7.52281 numMergedOcc 0
104 mol 264 unq 2 iso 0 dist 6.42588 10.1591 5.74568 12.864 6.84156 6.04162 numMergedOcc 0
105 mol 264 unq 2 iso 1 dist 6.04162 6.84156 5.74568 12.864 10.1591 6.42588 numMergedOcc 0
106 mol 264 unq 3 iso 0 dist 6.42588 10.1591 5.74568 13.9815 9.37297 6.14323 numMergedOcc 0
107 mol 264 unq 3 iso 1 dist 6.14323 9.37297 5.74568 13.9815 10.1591 6.42588 numMergedOcc 0
108 mol 294 unq 0 iso 0 dist 9.13907 12.0308 7.41079 14.9913 6.21267 7.91611 numMergedOcc 0
109 mol 294 unq 0 iso 1 dist 7.91611 6.21267 7.41079 14.9913 12.0308 9.13907 numMergedOcc 0
