0 mol 7 unq 0 iso 0 dist 9.17764 5.93318 6.02702 17.5844 9.97624 15.9584 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 9.17764 9.69326 8.72114 17.5844 9.97624 10.515 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.69142 7.89671 6.46104 14.1116 7.3022 11.0099 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 8.69142 11.9181 7.36856 14.1116 7.3022 4.74747 numMergedOcc 0
4 mol 26 unq 2 iso 0 dist 8.43523 14.4644 6.46104 6.23975 7.3022 11.0099 numMergedOcc 0
5 mol 26 unq 3 iso 0 dist 8.43523 10.4441 7.36856 6.23975 7.3022 4.74747 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 5.20528 9.53239 9.82915 9.30804 6.05495 15.8792 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 5.21813 5.90686 6.7117 4.34749 6.0129 8.70415 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 5.21813 9.41666 4.47349 4.34749 6.0129 10.0962 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 5.21813 9.57791 5.65185 4.34749 6.0129 11.2452 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 7.89276 12.4645 6.7117 13.6222 6.0129 8.70415 numMergedOcc 0
11 mol 98 unq 4 iso 0 dist 7.89276 4.89219 4.47349 13.6222 6.0129 10.0962 numMergedOcc 0
12 mol 98 unq 5 iso 0 dist 7.89276 3.91112 5.65185 13.6222 6.0129 11.2452 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 7.35647 6.73179 9.72053 9.17181 6.90634 6.01663 numMergedOcc 0
14 mol 130 unq 1 iso 0 dist 7.35647 12.7556 7.7949 9.17181 6.90634 12.8559 numMergedOcc 0
15 mol 130 unq 2 iso 0 dist 4.88366 8.77629 9.72053 8.0835 6.90634 6.01663 numMergedOcc 0
16 mol 130 unq 3 iso 0 dist 4.88366 6.51295 7.7949 8.0835 6.90634 12.8559 numMergedOcc 0
17 mol 133 unq 0 iso 0 dist 8.91143 13.9854 9.22232 14.7258 8.21165 12.0863 numMergedOcc 0
18 mol 134 unq 0 iso 0 dist 7.85849 9.30817 7.69991 14.3338 8.55616 6.69989 numMergedOcc 0
19 mol 134 unq 1 iso 0 dist 7.85849 9.30817 7.69991 13.386 8.73604 10.1448 numMergedOcc 0
20 mol 134 unq 2 iso 0 dist 7.85849 10.879 6.23142 14.3338 8.55616 5.3585 numMergedOcc 0
21 mol 134 unq 3 iso 0 dist 7.85849 10.879 6.23142 13.386 8.73604 5.41704 numMergedOcc 0
22 mol 134 unq 4 iso 0 dist 7.85849 16.7911 9.94764 14.3338 8.55616 6.74887 numMergedOcc 0
23 mol 134 unq 5 iso 0 dist 7.85849 16.7911 9.94764 13.386 8.73604 6.17103 numMergedOcc 0
24 mol 134 unq 6 iso 0 dist 6.08299 6.16353 7.69991 5.2893 8.55616 6.69989 numMergedOcc 0
25 mol 134 unq 7 iso 0 dist 6.08299 6.16353 7.69991 11.8215 8.73604 10.1448 numMergedOcc 0
26 mol 134 unq 8 iso 0 dist 6.08299 7.07625 6.23142 5.2893 8.55616 5.3585 numMergedOcc 0
27 mol 134 unq 9 iso 0 dist 6.08299 7.07625 6.23142 11.8215 8.73604 5.41704 numMergedOcc 0
28 mol 134 unq 10 iso 0 dist 6.08299 10.4858 9.94764 5.2893 8.55616 6.74887 numMergedOcc 0
29 mol 134 unq 11 iso 0 dist 6.08299 10.4858 9.94764 11.8215 8.73604 6.17103 numMergedOcc 0
30 mol 135 unq 0 iso 0 dist 5.95344 5.52034 5.62052 6.9257 9.15377 4.91422 numMergedOcc 0
31 mol 135 unq 1 iso 0 dist 5.95344 9.8859 7.85645 6.9257 9.15377 6.35261 numMergedOcc 0
32 mol 135 unq 2 iso 0 dist 7.8687 9.8231 5.62052 9.71714 9.15377 4.91422 numMergedOcc 0
33 mol 135 unq 3 iso 0 dist 7.8687 10.955 7.85645 9.71714 9.15377 6.35261 numMergedOcc 0
34 mol 146 unq 0 iso 0 dist 6.4477 5.1208 8.84535 11.4615 9.44952 14.7359 numMergedOcc 0
35 mol 146 unq 1 iso 0 dist 6.4477 8.91039 8.82188 11.4615 9.44952 7.00857 numMergedOcc 0
36 mol 146 unq 2 iso 0 dist 7.92203 9.57404 8.84535 6.21982 9.44952 14.7359 numMergedOcc 0
37 mol 146 unq 3 iso 0 dist 7.92203 5.03943 8.82188 6.21982 9.44952 7.00857 numMergedOcc 0
38 mol 156 unq 0 iso 0 dist 5.42285 11.1222 9.00416 5.75246 6.05323 8.31653 numMergedOcc 0
39 mol 186 unq 0 iso 0 dist 6.19189 6.13422 7.76163 9.94791 9.84492 10.5203 numMergedOcc 0
40 mol 186 unq 1 iso 0 dist 6.19189 9.40374 8.73217 9.94791 9.84492 11.7299 numMergedOcc 0
41 mol 186 unq 2 iso 0 dist 8.34668 10.2733 7.76163 4.34714 9.84492 10.5203 numMergedOcc 0
42 mol 186 unq 3 iso 0 dist 8.34668 12.4751 8.73217 4.34714 9.84492 11.7299 numMergedOcc 0
43 mol 235 unq 0 iso 0 dist 4.46919 6.70342 9.55668 5.61388 7.95766 4.65302 numMergedOcc 0
44 mol 235 unq 1 iso 0 dist 4.46919 5.06584 6.95126 5.61388 7.95766 6.43692 numMergedOcc 0
45 mol 238 unq 0 iso 0 dist 6.97527 11.1632 7.57812 12.9488 8.90076 5.11565 numMergedOcc 0
46 mol 238 unq 1 iso 0 dist 6.97527 11.1632 7.57812 6.3161 6.87131 13.0842 numMergedOcc 0
47 mol 238 unq 2 iso 0 dist 6.97527 11.1632 7.57812 10.8926 8.09718 13.171 numMergedOcc 0
48 mol 238 unq 3 iso 0 dist 6.97527 5.18833 9.24557 12.9488 8.90076 11.0401 numMergedOcc 0
49 mol 238 unq 4 iso 0 dist 6.97527 5.18833 9.24557 6.3161 6.87131 8.85181 numMergedOcc 0
50 mol 238 unq 5 iso 0 dist 6.97527 5.18833 9.24557 10.8926 8.09718 11.9142 numMergedOcc 0
51 mol 265 unq 0 iso 0 dist 7.87337 10.3482 6.71375 5.82541 5.40318 4.65134 numMergedOcc 0
52 mol 271 unq 0 iso 0 dist 6.7192 10.6358 8.98576 5.84979 5.81266 6.78222 numMergedOcc 0
53 mol 271 unq 1 iso 0 dist 6.7192 5.64566 8.92636 5.84979 5.81266 6.20098 numMergedOcc 0
54 mol 279 unq 0 iso 0 dist 5.02385 6.07975 7.23721 7.9872 9.24367 5.34838 numMergedOcc 0
