0 mol 73 unq 0 iso 0 dist 7.69222 5.82056 3.32668 9.85386 13.815 13.7005 numMergedOcc 0
1 mol 73 unq 0 iso 1 dist 5.82056 7.69222 3.32668 9.85386 13.7005 13.815 numMergedOcc 0
2 mol 73 unq 1 iso 0 dist 7.69222 5.82056 3.32668 4.8983 11.9118 10.0644 numMergedOcc 0
3 mol 73 unq 1 iso 1 dist 5.82056 7.69222 3.32668 4.8983 10.0644 11.9118 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 7.69222 9.09115 8.07648 9.85386 13.815 17.9011 numMergedOcc 0
5 mol 73 unq 2 iso 1 dist 9.09115 7.69222 8.07648 9.85386 17.9011 13.815 numMergedOcc 0
6 mol 73 unq 3 iso 0 dist 7.69222 9.09115 8.07648 4.8983 11.9118 12.1501 numMergedOcc 0
7 mol 73 unq 3 iso 1 dist 9.09115 7.69222 8.07648 4.8983 12.1501 11.9118 numMergedOcc 0
8 mol 73 unq 2 iso 0 dist 5.82056 9.09115 5.30471 9.85386 13.7005 17.9011 numMergedOcc 0
9 mol 73 unq 2 iso 1 dist 9.09115 5.82056 5.30471 9.85386 17.9011 13.7005 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 5.82056 9.09115 5.30471 4.8983 10.0644 12.1501 numMergedOcc 0
11 mol 73 unq 3 iso 1 dist 9.09115 5.82056 5.30471 4.8983 12.1501 10.0644 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 9.11547 8.23073 10.3056 7.27275 3.62998 8.96713 numMergedOcc 0
13 mol 95 unq 0 iso 1 dist 8.23073 9.11547 10.3056 7.27275 8.96713 3.62998 numMergedOcc 0
14 mol 107 unq 0 iso 0 dist 9.68222 8.28321 10.7388 7.2168 5.88785 8.55732 numMergedOcc 0
15 mol 107 unq 0 iso 1 dist 8.28321 9.68222 10.7388 7.2168 8.55732 5.88785 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 9.31543 8.85652 5.94312 4.4077 9.74071 9.87781 numMergedOcc 0
17 mol 129 unq 0 iso 1 dist 8.85652 9.31543 5.94312 4.4077 9.87781 9.74071 numMergedOcc 0
18 mol 129 unq 1 iso 0 dist 9.31543 8.85652 5.94312 8.4874 6.92699 9.93375 numMergedOcc 0
19 mol 129 unq 1 iso 1 dist 8.85652 9.31543 5.94312 8.4874 9.93375 6.92699 numMergedOcc 0
20 mol 152 unq 0 iso 0 dist 9.17216 9.44172 3.55572 6.68265 5.12696 6.04238 numMergedOcc 0
21 mol 152 unq 0 iso 1 dist 9.44172 9.17216 3.55572 6.68265 6.04238 5.12696 numMergedOcc 0
22 mol 192 unq 0 iso 0 dist 5.08603 9.30889 9.55438 5.5223 3.41605 7.90804 numMergedOcc 0
23 mol 192 unq 0 iso 1 dist 9.30889 5.08603 9.55438 5.5223 7.90804 3.41605 numMergedOcc 0
24 mol 192 unq 1 iso 0 dist 5.08603 9.30889 9.55438 8.00501 7.59825 3.69054 numMergedOcc 0
25 mol 192 unq 1 iso 1 dist 9.30889 5.08603 9.55438 8.00501 3.69054 7.59825 numMergedOcc 0
26 mol 214 unq 0 iso 0 dist 8.44407 6.0155 5.97842 9.46274 15.9748 10.9698 numMergedOcc 0
27 mol 214 unq 0 iso 1 dist 6.0155 8.44407 5.97842 9.46274 10.9698 15.9748 numMergedOcc 0
28 mol 214 unq 1 iso 0 dist 8.44407 8.89981 16.136 9.46274 15.9748 5.22858 numMergedOcc 0
29 mol 214 unq 1 iso 1 dist 8.89981 8.44407 16.136 9.46274 5.22858 15.9748 numMergedOcc 0
30 mol 214 unq 1 iso 0 dist 6.0155 8.89981 12.6404 9.46274 10.9698 5.22858 numMergedOcc 0
31 mol 214 unq 1 iso 1 dist 8.89981 6.0155 12.6404 9.46274 5.22858 10.9698 numMergedOcc 0
32 mol 225 unq 0 iso 0 dist 8.94981 5.90986 8.05944 7.78392 16.3069 12.113 numMergedOcc 0
33 mol 225 unq 0 iso 1 dist 5.90986 8.94981 8.05944 7.78392 12.113 16.3069 numMergedOcc 0
34 mol 225 unq 1 iso 0 dist 8.94981 7.50697 13.7858 7.78392 16.3069 5.31124 numMergedOcc 0
35 mol 225 unq 1 iso 1 dist 7.50697 8.94981 13.7858 7.78392 5.31124 16.3069 numMergedOcc 0
36 mol 225 unq 1 iso 0 dist 5.90986 7.50697 11.2712 7.78392 12.113 5.31124 numMergedOcc 0
37 mol 225 unq 1 iso 1 dist 7.50697 5.90986 11.2712 7.78392 5.31124 12.113 numMergedOcc 0
38 mol 251 unq 0 iso 0 dist 5.62261 6.17824 3.63976 6.06154 5.79539 3.45567 numMergedOcc 0
39 mol 251 unq 0 iso 1 dist 6.17824 5.62261 3.63976 6.06154 3.45567 5.79539 numMergedOcc 0
40 mol 253 unq 0 iso 0 dist 8.59229 7.33165 5.45865 6.74521 3.92688 3.21986 numMergedOcc 0
41 mol 253 unq 0 iso 1 dist 7.33165 8.59229 5.45865 6.74521 3.21986 3.92688 numMergedOcc 0
42 mol 253 unq 1 iso 0 dist 8.59229 9.66967 6.88699 6.74521 3.92688 4.47943 numMergedOcc 0
43 mol 253 unq 1 iso 1 dist 9.66967 8.59229 6.88699 6.74521 4.47943 3.92688 numMergedOcc 0
44 mol 253 unq 1 iso 0 dist 7.33165 9.66967 7.10824 6.74521 3.21986 4.47943 numMergedOcc 0
45 mol 253 unq 1 iso 1 dist 9.66967 7.33165 7.10824 6.74521 4.47943 3.21986 numMergedOcc 0
46 mol 273 unq 0 iso 0 dist 8.66133 6.95569 15.0189 8.13393 9.06868 11.8515 numMergedOcc 0
47 mol 273 unq 0 iso 1 dist 6.95569 8.66133 15.0189 8.13393 11.8515 9.06868 numMergedOcc 0
48 mol 277 unq 0 iso 0 dist 9.91103 7.0603 3.39114 4.1545 5.9732 3.79766 numMergedOcc 0
49 mol 277 unq 0 iso 1 dist 7.0603 9.91103 3.39114 4.1545 3.79766 5.9732 numMergedOcc 0
50 mol 277 unq 1 iso 0 dist 9.91103 7.0603 3.39114 4.25172 8.61922 7.07613 numMergedOcc 0
51 mol 277 unq 1 iso 1 dist 7.0603 9.91103 3.39114 4.25172 7.07613 8.61922 numMergedOcc 0
52 mol 285 unq 0 iso 0 dist 5.49829 6.24134 8.58145 7.08681 8.34667 4.98469 numMergedOcc 0
53 mol 285 unq 0 iso 1 dist 6.24134 5.49829 8.58145 7.08681 4.98469 8.34667 numMergedOcc 0
54 mol 285 unq 1 iso 0 dist 5.49829 6.24134 8.58145 4.95596 8.31211 10.5542 numMergedOcc 0
55 mol 285 unq 1 iso 1 dist 6.24134 5.49829 8.58145 4.95596 10.5542 8.31211 numMergedOcc 0
56 mol 285 unq 2 iso 0 dist 5.49829 6.24134 8.58145 6.3508 8.08247 12.5361 numMergedOcc 0
57 mol 285 unq 2 iso 1 dist 6.24134 5.49829 8.58145 6.3508 12.5361 8.08247 numMergedOcc 0
58 mol 285 unq 3 iso 0 dist 5.49829 6.24134 8.58145 8.3005 7.23311 11.9464 numMergedOcc 0
59 mol 285 unq 3 iso 1 dist 6.24134 5.49829 8.58145 8.3005 11.9464 7.23311 numMergedOcc 0
