0 mol 1 unq 0 iso 0 dist 9.60596 9.01148 8.26708 12.4943 6.09918 5.92202 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 9.60596 12.4943 6.09918 9.01148 8.26708 5.92202 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 9.36946 10.172 7.9944 5.4068 7.032 5.06358 numMergedOcc 0
3 mol 9 unq 0 iso 1 dist 9.36946 5.4068 7.032 10.172 7.9944 5.06358 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 8.41365 6.92576 7.48847 13.4414 6.92532 10.8007 numMergedOcc 0
5 mol 19 unq 0 iso 1 dist 8.41365 13.4414 6.92532 6.92576 7.48847 10.8007 numMergedOcc 0
6 mol 19 unq 1 iso 0 dist 8.41365 6.92576 7.48847 10.5285 6.36455 10.6598 numMergedOcc 0
7 mol 19 unq 1 iso 1 dist 8.41365 10.5285 6.36455 6.92576 7.48847 10.6598 numMergedOcc 0
8 mol 19 unq 1 iso 0 dist 8.41365 13.4414 6.92532 10.5285 6.36455 5.03957 numMergedOcc 0
9 mol 19 unq 1 iso 1 dist 8.41365 10.5285 6.36455 13.4414 6.92532 5.03957 numMergedOcc 0
10 mol 24 unq 0 iso 0 dist 5.78238 9.59761 6.60423 5.641 7.83786 7.05502 numMergedOcc 0
11 mol 24 unq 0 iso 1 dist 5.78238 5.641 7.83786 9.59761 6.60423 7.05502 numMergedOcc 0
12 mol 30 unq 0 iso 0 dist 5.19692 5.59189 8.7817 7.78507 7.55415 5.26258 numMergedOcc 0
13 mol 30 unq 0 iso 1 dist 5.19692 7.78507 7.55415 5.59189 8.7817 5.26258 numMergedOcc 0
14 mol 38 unq 0 iso 0 dist 8.10697 5.39129 7.05737 5.29179 7.54179 5.64331 numMergedOcc 0
15 mol 38 unq 0 iso 1 dist 8.10697 5.29179 7.54179 5.39129 7.05737 5.64331 numMergedOcc 0
16 mol 42 unq 0 iso 0 dist 8.04465 13.006 9.53458 13.1762 9.16649 5.59383 numMergedOcc 0
17 mol 42 unq 0 iso 1 dist 8.04465 13.1762 9.16649 13.006 9.53458 5.59383 numMergedOcc 0
18 mol 43 unq 0 iso 0 dist 9.41473 6.6796 9.93832 10.2523 8.60739 8.13395 numMergedOcc 0
19 mol 43 unq 0 iso 1 dist 9.41473 10.2523 8.60739 6.6796 9.93832 8.13395 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 6.59232 6.71593 8.85586 5.72472 5.16364 8.07446 numMergedOcc 0
21 mol 73 unq 0 iso 1 dist 6.59232 5.72472 5.16364 6.71593 8.85586 8.07446 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 7.5344 8.25445 8.86329 11.8349 8.71039 5.55373 numMergedOcc 0
23 mol 131 unq 0 iso 1 dist 7.5344 11.8349 8.71039 8.25445 8.86329 5.55373 numMergedOcc 0
24 mol 148 unq 0 iso 0 dist 5.29515 7.12546 9.02318 10.7866 9.74542 6.83844 numMergedOcc 0
25 mol 148 unq 0 iso 1 dist 5.29515 10.7866 9.74542 7.12546 9.02318 6.83844 numMergedOcc 0
26 mol 148 unq 1 iso 0 dist 5.29515 7.12546 9.02318 5.2593 7.97543 7.26616 numMergedOcc 0
27 mol 148 unq 1 iso 1 dist 5.29515 5.2593 7.97543 7.12546 9.02318 7.26616 numMergedOcc 0
28 mol 148 unq 1 iso 0 dist 5.29515 10.7866 9.74542 5.2593 7.97543 8.72919 numMergedOcc 0
29 mol 148 unq 1 iso 1 dist 5.29515 5.2593 7.97543 10.7866 9.74542 8.72919 numMergedOcc 0
30 mol 150 unq 0 iso 0 dist 5.16917 10.734 9.6606 5.1918 7.85526 8.77324 numMergedOcc 0
31 mol 150 unq 0 iso 1 dist 5.16917 5.1918 7.85526 10.734 9.6606 8.77324 numMergedOcc 0
32 mol 150 unq 1 iso 0 dist 5.16917 10.734 9.6606 7.02896 8.94552 6.98865 numMergedOcc 0
33 mol 150 unq 1 iso 1 dist 5.16917 7.02896 8.94552 10.734 9.6606 6.98865 numMergedOcc 0
34 mol 150 unq 1 iso 0 dist 5.16917 5.1918 7.85526 7.02896 8.94552 7.24908 numMergedOcc 0
35 mol 150 unq 1 iso 1 dist 5.16917 7.02896 8.94552 5.1918 7.85526 7.24908 numMergedOcc 0
36 mol 156 unq 0 iso 0 dist 5.85349 5.65865 9.31851 5.73002 6.2319 7.14831 numMergedOcc 0
37 mol 156 unq 0 iso 1 dist 5.85349 5.73002 6.2319 5.65865 9.31851 7.14831 numMergedOcc 0
38 mol 156 unq 1 iso 0 dist 5.85349 5.65865 9.31851 11.2941 9.97732 9.98789 numMergedOcc 0
39 mol 156 unq 1 iso 1 dist 5.85349 11.2941 9.97732 5.65865 9.31851 9.98789 numMergedOcc 0
40 mol 156 unq 1 iso 0 dist 5.85349 5.73002 6.2319 11.2941 9.97732 6.31306 numMergedOcc 0
41 mol 156 unq 1 iso 1 dist 5.85349 11.2941 9.97732 5.73002 6.2319 6.31306 numMergedOcc 0
42 mol 171 unq 0 iso 0 dist 7.11599 12.3586 7.71426 9.45239 5.10618 7.31409 numMergedOcc 0
43 mol 171 unq 0 iso 1 dist 7.11599 9.45239 5.10618 12.3586 7.71426 7.31409 numMergedOcc 0
44 mol 171 unq 1 iso 0 dist 7.11599 12.3586 7.71426 6.08244 9.86681 13.6814 numMergedOcc 0
45 mol 171 unq 1 iso 1 dist 7.11599 6.08244 9.86681 12.3586 7.71426 13.6814 numMergedOcc 0
46 mol 171 unq 1 iso 0 dist 7.11599 9.45239 5.10618 6.08244 9.86681 13.7214 numMergedOcc 0
47 mol 171 unq 1 iso 1 dist 7.11599 6.08244 9.86681 9.45239 5.10618 13.7214 numMergedOcc 0
48 mol 186 unq 0 iso 0 dist 9.51006 10.568 7.20574 11.1286 6.85302 5.74635 numMergedOcc 0
49 mol 186 unq 0 iso 1 dist 9.51006 11.1286 6.85302 10.568 7.20574 5.74635 numMergedOcc 0
50 mol 186 unq 1 iso 0 dist 9.05979 7.10544 9.56197 10.591 7.24795 9.41955 numMergedOcc 0
51 mol 186 unq 1 iso 1 dist 9.05979 10.591 7.24795 7.10544 9.56197 9.41955 numMergedOcc 0
52 mol 186 unq 2 iso 0 dist 9.05979 7.10544 9.56197 8.86145 8.64409 8.04815 numMergedOcc 0
53 mol 186 unq 2 iso 1 dist 9.05979 8.86145 8.64409 7.10544 9.56197 8.04815 numMergedOcc 0
54 mol 186 unq 3 iso 0 dist 9.05979 7.10544 9.56197 10.8899 7.60202 5.92513 numMergedOcc 0
55 mol 186 unq 3 iso 1 dist 9.05979 10.8899 7.60202 7.10544 9.56197 5.92513 numMergedOcc 0
56 mol 186 unq 2 iso 0 dist 9.05979 10.591 7.24795 8.86145 8.64409 13.684 numMergedOcc 0
57 mol 186 unq 2 iso 1 dist 9.05979 8.86145 8.64409 10.591 7.24795 13.684 numMergedOcc 0
58 mol 186 unq 3 iso 0 dist 9.05979 10.591 7.24795 10.8899 7.60202 9.45987 numMergedOcc 0
59 mol 186 unq 3 iso 1 dist 9.05979 10.8899 7.60202 10.591 7.24795 9.45987 numMergedOcc 0
60 mol 186 unq 3 iso 0 dist 9.05979 8.86145 8.64409 10.8899 7.60202 7.18269 numMergedOcc 0
61 mol 186 unq 3 iso 1 dist 9.05979 10.8899 7.60202 8.86145 8.64409 7.18269 numMergedOcc 0
62 mol 194 unq 0 iso 0 dist 9.13708 5.03763 6.26839 12.8318 8.12346 8.0179 numMergedOcc 0
63 mol 194 unq 0 iso 1 dist 9.13708 12.8318 8.12346 5.03763 6.26839 8.0179 numMergedOcc 0
64 mol 194 unq 1 iso 0 dist 9.13708 5.03763 6.26839 16.5287 8.83356 14.6506 numMergedOcc 0
65 mol 194 unq 1 iso 1 dist 9.13708 16.5287 8.83356 5.03763 6.26839 14.6506 numMergedOcc 0
66 mol 194 unq 2 iso 0 dist 9.13708 5.03763 6.26839 11.4735 8.2654 8.48054 numMergedOcc 0
67 mol 194 unq 2 iso 1 dist 9.13708 11.4735 8.2654 5.03763 6.26839 8.48054 numMergedOcc 0
68 mol 194 unq 1 iso 0 dist 9.13708 12.8318 8.12346 16.5287 8.83356 13.5632 numMergedOcc 0
69 mol 194 unq 1 iso 1 dist 9.13708 16.5287 8.83356 12.8318 8.12346 13.5632 numMergedOcc 0
70 mol 194 unq 2 iso 0 dist 9.13708 12.8318 8.12346 11.4735 8.2654 6.26298 numMergedOcc 0
71 mol 194 unq 2 iso 1 dist 9.13708 11.4735 8.2654 12.8318 8.12346 6.26298 numMergedOcc 0
72 mol 194 unq 2 iso 0 dist 9.13708 16.5287 8.83356 11.4735 8.2654 11.6097 numMergedOcc 0
73 mol 194 unq 2 iso 1 dist 9.13708 11.4735 8.2654 16.5287 8.83356 11.6097 numMergedOcc 0
74 mol 218 unq 0 iso 0 dist 9.71415 13.4459 8.86175 13.3081 6.29511 4.72474 numMergedOcc 0
75 mol 218 unq 0 iso 1 dist 9.71415 13.3081 6.29511 13.4459 8.86175 4.72474 numMergedOcc 0
76 mol 227 unq 0 iso 0 dist 5.05201 9.08827 8.38865 5.70988 5.4694 5.22356 numMergedOcc 0
77 mol 227 unq 0 iso 1 dist 5.05201 5.70988 5.4694 9.08827 8.38865 5.22356 numMergedOcc 0
78 mol 230 unq 0 iso 0 dist 5.51163 5.53578 9.09271 7.7551 7.44838 5.53477 numMergedOcc 0
79 mol 230 unq 0 iso 1 dist 5.51163 7.7551 7.44838 5.53578 9.09271 5.53477 numMergedOcc 0
80 mol 234 unq 0 iso 0 dist 4.7359 4.67725 7.56091 4.74041 8.24186 8.59858 numMergedOcc 0
81 mol 234 unq 0 iso 1 dist 4.7359 4.74041 8.24186 4.67725 7.56091 8.59858 numMergedOcc 0
82 mol 234 unq 1 iso 0 dist 4.7359 4.67725 7.56091 6.16697 7.5366 9.82284 numMergedOcc 0
83 mol 234 unq 1 iso 1 dist 4.7359 6.16697 7.5366 4.67725 7.56091 9.82284 numMergedOcc 0
84 mol 234 unq 1 iso 0 dist 4.7359 4.74041 8.24186 6.16697 7.5366 5.88703 numMergedOcc 0
85 mol 234 unq 1 iso 1 dist 4.7359 6.16697 7.5366 4.74041 8.24186 5.88703 numMergedOcc 0
86 mol 235 unq 0 iso 0 dist 7.22411 10.6339 6.39158 6.25956 7.75722 12.1984 numMergedOcc 0
87 mol 235 unq 0 iso 1 dist 7.22411 6.25956 7.75722 10.6339 6.39158 12.1984 numMergedOcc 0
88 mol 248 unq 0 iso 0 dist 8.46518 4.53213 6.17052 6.33032 9.77666 5.55137 numMergedOcc 0
89 mol 248 unq 0 iso 1 dist 8.46518 6.33032 9.77666 4.53213 6.17052 5.55137 numMergedOcc 0
90 mol 261 unq 0 iso 0 dist 9.62681 11.0719 5.26434 15.7058 8.60026 7.00201 numMergedOcc 0
91 mol 261 unq 0 iso 1 dist 9.62681 15.7058 8.60026 11.0719 5.26434 7.00201 numMergedOcc 0
92 mol 272 unq 0 iso 0 dist 6.49719 11.8274 9.64269 5.81271 6.88809 6.6954 numMergedOcc 0
93 mol 272 unq 0 iso 1 dist 6.49719 5.81271 6.88809 11.8274 9.64269 6.6954 numMergedOcc 0
94 mol 272 unq 1 iso 0 dist 6.49719 11.8274 9.64269 11.2831 8.46061 8.12676 numMergedOcc 0
95 mol 272 unq 1 iso 1 dist 6.49719 11.2831 8.46061 11.8274 9.64269 8.12676 numMergedOcc 0
96 mol 272 unq 1 iso 0 dist 6.49719 5.81271 6.88809 11.2831 8.46061 7.34222 numMergedOcc 0
97 mol 272 unq 1 iso 1 dist 6.49719 11.2831 8.46061 5.81271 6.88809 7.34222 numMergedOcc 0
98 mol 272 unq 2 iso 0 dist 5.7564 11.082 9.64269 5.82123 6.88809 6.6954 numMergedOcc 0
99 mol 272 unq 2 iso 1 dist 5.7564 5.82123 6.88809 11.082 9.64269 6.6954 numMergedOcc 0
100 mol 272 unq 3 iso 0 dist 5.7564 11.082 9.64269 6.72149 8.46061 8.12676 numMergedOcc 0
101 mol 272 unq 3 iso 1 dist 5.7564 6.72149 8.46061 11.082 9.64269 8.12676 numMergedOcc 0
102 mol 272 unq 3 iso 0 dist 5.7564 5.82123 6.88809 6.72149 8.46061 7.34222 numMergedOcc 0
103 mol 272 unq 3 iso 1 dist 5.7564 6.72149 8.46061 5.82123 6.88809 7.34222 numMergedOcc 0
104 mol 279 unq 0 iso 0 dist 7.92537 13.9298 8.29305 9.73122 6.43341 6.67478 numMergedOcc 0
105 mol 279 unq 0 iso 1 dist 7.92537 9.73122 6.43341 13.9298 8.29305 6.67478 numMergedOcc 0
