0 mol 18 unq 0 iso 0 dist 8.80193 9.35863 3.84273 5.04478 11.0746 10.6819 numMergedOcc 0
1 mol 18 unq 0 iso 1 dist 8.80193 5.04478 11.0746 9.35863 3.84273 10.6819 numMergedOcc 0
2 mol 21 unq 0 iso 0 dist 6.93185 9.35562 3.76294 8.63857 12.9404 15.9052 numMergedOcc 0
3 mol 21 unq 0 iso 1 dist 6.93185 8.63857 12.9404 9.35562 3.76294 15.9052 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 6.15893 9.06516 5.29055 6.79475 6.64374 9.56136 numMergedOcc 0
5 mol 26 unq 0 iso 1 dist 6.15893 6.79475 6.64374 9.06516 5.29055 9.56136 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 5.497 9.06516 4.76998 6.79475 5.39199 9.56136 numMergedOcc 0
7 mol 26 unq 1 iso 1 dist 5.497 6.79475 5.39199 9.06516 4.76998 9.56136 numMergedOcc 0
8 mol 34 unq 0 iso 0 dist 8.90835 8.38156 10.4006 7.79336 7.68459 13.1232 numMergedOcc 0
9 mol 34 unq 0 iso 1 dist 8.90835 7.79336 7.68459 8.38156 10.4006 13.1232 numMergedOcc 0
10 mol 34 unq 1 iso 0 dist 8.90835 8.38156 10.4006 7.08559 5.70782 12.7516 numMergedOcc 0
11 mol 34 unq 1 iso 1 dist 8.90835 7.08559 5.70782 8.38156 10.4006 12.7516 numMergedOcc 0
12 mol 34 unq 1 iso 0 dist 8.90835 7.79336 7.68459 7.08559 5.70782 3.39994 numMergedOcc 0
13 mol 34 unq 1 iso 1 dist 8.90835 7.08559 5.70782 7.79336 7.68459 3.39994 numMergedOcc 0
14 mol 39 unq 0 iso 0 dist 6.47855 8.94353 10.5824 7.30265 3.91611 9.75478 numMergedOcc 0
15 mol 39 unq 0 iso 1 dist 6.47855 7.30265 3.91611 8.94353 10.5824 9.75478 numMergedOcc 0
16 mol 59 unq 0 iso 0 dist 9.52272 6.52887 4.72639 8.35444 14.2005 13.6068 numMergedOcc 0
17 mol 59 unq 0 iso 1 dist 9.52272 8.35444 14.2005 6.52887 4.72639 13.6068 numMergedOcc 0
18 mol 67 unq 0 iso 0 dist 9.0008 8.96498 5.26394 7.5228 14.1568 15.3956 numMergedOcc 0
19 mol 67 unq 0 iso 1 dist 9.0008 7.5228 14.1568 8.96498 5.26394 15.3956 numMergedOcc 0
20 mol 98 unq 0 iso 0 dist 6.0129 4.44979 3.92737 6.61111 3.94967 6.70343 numMergedOcc 0
21 mol 98 unq 0 iso 1 dist 6.0129 6.61111 3.94967 4.44979 3.92737 6.70343 numMergedOcc 0
22 mol 119 unq 0 iso 0 dist 7.26955 6.55202 10.3622 9.08536 14.9264 12.7135 numMergedOcc 0
23 mol 119 unq 0 iso 1 dist 7.26955 9.08536 14.9264 6.55202 10.3622 12.7135 numMergedOcc 0
24 mol 126 unq 0 iso 0 dist 7.36017 8.7789 3.9234 9.93613 5.50104 6.16496 numMergedOcc 0
25 mol 126 unq 0 iso 1 dist 7.36017 9.93613 5.50104 8.7789 3.9234 6.16496 numMergedOcc 0
26 mol 126 unq 1 iso 0 dist 5.14819 8.7789 6.1079 9.93613 7.02562 6.16496 numMergedOcc 0
27 mol 126 unq 1 iso 1 dist 5.14819 9.93613 7.02562 8.7789 6.1079 6.16496 numMergedOcc 0
28 mol 126 unq 2 iso 0 dist 6.84245 8.7789 9.58426 9.93613 11.1195 6.16496 numMergedOcc 0
29 mol 126 unq 2 iso 1 dist 6.84245 9.93613 11.1195 8.7789 9.58426 6.16496 numMergedOcc 0
30 mol 134 unq 0 iso 0 dist 8.55616 6.44575 11.5269 7.43401 6.93712 5.83782 numMergedOcc 0
31 mol 134 unq 0 iso 1 dist 8.55616 7.43401 6.93712 6.44575 11.5269 5.83782 numMergedOcc 0
32 mol 134 unq 1 iso 0 dist 6.21403 5.73203 4.07076 6.57379 6.32315 4.87973 numMergedOcc 0
33 mol 134 unq 1 iso 1 dist 6.21403 6.57379 6.32315 5.73203 4.07076 4.87973 numMergedOcc 0
34 mol 143 unq 0 iso 0 dist 9.30424 8.18023 13.1214 7.46803 4.06908 10.1474 numMergedOcc 0
35 mol 143 unq 0 iso 1 dist 9.30424 7.46803 4.06908 8.18023 13.1214 10.1474 numMergedOcc 0
36 mol 162 unq 0 iso 0 dist 8.30984 6.65272 3.91051 9.66989 3.88817 4.89072 numMergedOcc 0
37 mol 162 unq 0 iso 1 dist 8.30984 9.66989 3.88817 6.65272 3.91051 4.89072 numMergedOcc 0
38 mol 167 unq 0 iso 0 dist 7.80054 9.1326 5.43662 7.30954 5.95858 6.81449 numMergedOcc 0
39 mol 167 unq 0 iso 1 dist 7.80054 7.30954 5.95858 9.1326 5.43662 6.81449 numMergedOcc 0
40 mol 173 unq 0 iso 0 dist 8.41245 8.62366 16.0084 9.44973 13.8465 6.03503 numMergedOcc 0
41 mol 173 unq 0 iso 1 dist 8.41245 9.44973 13.8465 8.62366 16.0084 6.03503 numMergedOcc 0
42 mol 173 unq 1 iso 0 dist 8.41245 8.62366 16.0084 6.52508 11.2063 7.19559 numMergedOcc 0
43 mol 173 unq 1 iso 1 dist 8.41245 6.52508 11.2063 8.62366 16.0084 7.19559 numMergedOcc 0
44 mol 173 unq 1 iso 0 dist 8.41245 9.44973 13.8465 6.52508 11.2063 6.51246 numMergedOcc 0
45 mol 173 unq 1 iso 1 dist 8.41245 6.52508 11.2063 9.44973 13.8465 6.51246 numMergedOcc 0
46 mol 173 unq 2 iso 0 dist 6.64779 8.62366 11.3761 9.44973 9.90783 6.03503 numMergedOcc 0
47 mol 173 unq 2 iso 1 dist 6.64779 9.44973 9.90783 8.62366 11.3761 6.03503 numMergedOcc 0
48 mol 173 unq 3 iso 0 dist 6.64779 8.62366 11.3761 6.52508 4.60149 7.19559 numMergedOcc 0
49 mol 173 unq 3 iso 1 dist 6.64779 6.52508 4.60149 8.62366 11.3761 7.19559 numMergedOcc 0
50 mol 173 unq 3 iso 0 dist 6.64779 9.44973 9.90783 6.52508 4.60149 6.51246 numMergedOcc 0
51 mol 173 unq 3 iso 1 dist 6.64779 6.52508 4.60149 9.44973 9.90783 6.51246 numMergedOcc 0
52 mol 181 unq 0 iso 0 dist 7.05653 9.09234 4.98436 6.76746 11.9796 11.196 numMergedOcc 0
53 mol 181 unq 0 iso 1 dist 7.05653 6.76746 11.9796 9.09234 4.98436 11.196 numMergedOcc 0
54 mol 181 unq 1 iso 0 dist 7.05653 9.09234 4.98436 8.92098 12.3589 10.1041 numMergedOcc 0
55 mol 181 unq 1 iso 1 dist 7.05653 8.92098 12.3589 9.09234 4.98436 10.1041 numMergedOcc 0
56 mol 181 unq 1 iso 0 dist 7.05653 6.76746 11.9796 8.92098 12.3589 3.55187 numMergedOcc 0
57 mol 181 unq 1 iso 1 dist 7.05653 8.92098 12.3589 6.76746 11.9796 3.55187 numMergedOcc 0
58 mol 194 unq 0 iso 0 dist 8.52969 7.10155 7.41775 6.11135 11.4789 5.31005 numMergedOcc 0
59 mol 194 unq 0 iso 1 dist 8.52969 6.11135 11.4789 7.10155 7.41775 5.31005 numMergedOcc 0
60 mol 234 unq 0 iso 0 dist 7.43663 8.27411 11.1693 6.96257 10.7351 15.1017 numMergedOcc 0
61 mol 234 unq 0 iso 1 dist 7.43663 6.96257 10.7351 8.27411 11.1693 15.1017 numMergedOcc 0
62 mol 259 unq 0 iso 0 dist 8.71497 8.84648 7.57379 6.23661 4.47425 8.0048 numMergedOcc 0
63 mol 259 unq 0 iso 1 dist 8.71497 6.23661 4.47425 8.84648 7.57379 8.0048 numMergedOcc 0
64 mol 267 unq 0 iso 0 dist 9.01354 6.32877 14.8427 9.48115 16.1143 6.14857 numMergedOcc 0
65 mol 267 unq 0 iso 1 dist 9.01354 9.48115 16.1143 6.32877 14.8427 6.14857 numMergedOcc 0
66 mol 267 unq 1 iso 0 dist 9.01354 6.32877 14.8427 8.38545 5.32312 12.5387 numMergedOcc 0
67 mol 267 unq 1 iso 1 dist 9.01354 8.38545 5.32312 6.32877 14.8427 12.5387 numMergedOcc 0
68 mol 267 unq 2 iso 0 dist 9.01354 6.32877 14.8427 5.08174 5.68457 11.3792 numMergedOcc 0
69 mol 267 unq 2 iso 1 dist 9.01354 5.08174 5.68457 6.32877 14.8427 11.3792 numMergedOcc 0
70 mol 267 unq 3 iso 0 dist 9.01354 6.32877 14.8427 6.10838 5.41564 11.7355 numMergedOcc 0
71 mol 267 unq 3 iso 1 dist 9.01354 6.10838 5.41564 6.32877 14.8427 11.7355 numMergedOcc 0
72 mol 267 unq 1 iso 0 dist 9.01354 9.48115 16.1143 8.38545 5.32312 12.3649 numMergedOcc 0
73 mol 267 unq 1 iso 1 dist 9.01354 8.38545 5.32312 9.48115 16.1143 12.3649 numMergedOcc 0
74 mol 267 unq 2 iso 0 dist 9.01354 9.48115 16.1143 5.08174 5.68457 13.5886 numMergedOcc 0
75 mol 267 unq 2 iso 1 dist 9.01354 5.08174 5.68457 9.48115 16.1143 13.5886 numMergedOcc 0
76 mol 267 unq 3 iso 0 dist 9.01354 9.48115 16.1143 6.10838 5.41564 12.2591 numMergedOcc 0
77 mol 267 unq 3 iso 1 dist 9.01354 6.10838 5.41564 9.48115 16.1143 12.2591 numMergedOcc 0
78 mol 267 unq 2 iso 0 dist 9.01354 8.38545 5.32312 5.08174 5.68457 7.9327 numMergedOcc 0
79 mol 267 unq 2 iso 1 dist 9.01354 5.08174 5.68457 8.38545 5.32312 7.9327 numMergedOcc 0
80 mol 267 unq 3 iso 0 dist 9.01354 8.38545 5.32312 6.10838 5.41564 5.97578 numMergedOcc 0
81 mol 267 unq 3 iso 1 dist 9.01354 6.10838 5.41564 8.38545 5.32312 5.97578 numMergedOcc 0
82 mol 267 unq 3 iso 0 dist 9.01354 5.08174 5.68457 6.10838 5.41564 3.51278 numMergedOcc 0
83 mol 267 unq 3 iso 1 dist 9.01354 6.10838 5.41564 5.08174 5.68457 3.51278 numMergedOcc 0
84 mol 292 unq 0 iso 0 dist 5.7131 6.1905 3.92782 5.84792 5.93687 4.99426 numMergedOcc 0
85 mol 292 unq 0 iso 1 dist 5.7131 5.84792 5.93687 6.1905 3.92782 4.99426 numMergedOcc 0
86 mol 292 unq 1 iso 0 dist 5.7131 6.1905 3.92782 8.73515 9.40023 8.21724 numMergedOcc 0
87 mol 292 unq 1 iso 1 dist 5.7131 8.73515 9.40023 6.1905 3.92782 8.21724 numMergedOcc 0
88 mol 292 unq 1 iso 0 dist 5.7131 5.84792 5.93687 8.73515 9.40023 3.57128 numMergedOcc 0
89 mol 292 unq 1 iso 1 dist 5.7131 8.73515 9.40023 5.84792 5.93687 3.57128 numMergedOcc 0
