0 mol 9 unq 0 iso 0 dist 6.33889 5.60154 7.2199 4.61049 6.9513 6.27573 5.84314 9.81658 3.91075 8.25089 numMergedOcc 0
1 mol 9 unq 0 iso 1 dist 6.33889 4.61049 6.9513 5.60154 7.2199 6.27573 5.84314 9.81658 8.25089 3.91075 numMergedOcc 0
2 mol 9 unq 1 iso 0 dist 6.33889 5.60154 7.2199 6.64015 9.16116 11.1737 5.84314 9.81658 3.91075 12.0874 numMergedOcc 0
3 mol 9 unq 1 iso 1 dist 6.33889 6.64015 9.16116 5.60154 7.2199 11.1737 5.84314 9.81658 12.0874 3.91075 numMergedOcc 0
4 mol 9 unq 2 iso 0 dist 6.33889 5.60154 7.2199 13.7377 8.47109 10.9842 5.84314 9.81658 3.91075 14.6279 numMergedOcc 0
5 mol 9 unq 2 iso 1 dist 6.33889 13.7377 8.47109 5.60154 7.2199 10.9842 5.84314 9.81658 14.6279 3.91075 numMergedOcc 0
6 mol 9 unq 1 iso 0 dist 6.33889 4.61049 6.9513 6.64015 9.16116 5.63132 5.84314 9.81658 8.25089 12.0874 numMergedOcc 0
7 mol 9 unq 1 iso 1 dist 6.33889 6.64015 9.16116 4.61049 6.9513 5.63132 5.84314 9.81658 12.0874 8.25089 numMergedOcc 0
8 mol 9 unq 2 iso 0 dist 6.33889 4.61049 6.9513 13.7377 8.47109 12.6338 5.84314 9.81658 8.25089 14.6279 numMergedOcc 0
9 mol 9 unq 2 iso 1 dist 6.33889 13.7377 8.47109 4.61049 6.9513 12.6338 5.84314 9.81658 14.6279 8.25089 numMergedOcc 0
10 mol 9 unq 2 iso 0 dist 6.33889 6.64015 9.16116 13.7377 8.47109 16.406 5.84314 9.81658 12.0874 14.6279 numMergedOcc 0
11 mol 9 unq 2 iso 1 dist 6.33889 13.7377 8.47109 6.64015 9.16116 16.406 5.84314 9.81658 14.6279 12.0874 numMergedOcc 0
12 mol 32 unq 0 iso 0 dist 8.68559 7.93694 7.18766 6.68431 7.48825 9.61004 10.7345 7.11053 5.19476 8.73368 numMergedOcc 0
13 mol 32 unq 0 iso 1 dist 8.68559 6.68431 7.48825 7.93694 7.18766 9.61004 10.7345 7.11053 8.73368 5.19476 numMergedOcc 0
14 mol 39 unq 0 iso 0 dist 7.45237 6.42104 8.43814 6.42248 8.16689 6.26783 9.26784 8.94353 3.82528 6.18816 numMergedOcc 0
15 mol 39 unq 0 iso 1 dist 7.45237 6.42248 8.16689 6.42104 8.43814 6.26783 9.26784 8.94353 6.18816 3.82528 numMergedOcc 0
16 mol 39 unq 1 iso 0 dist 7.45237 6.42104 8.43814 6.42248 8.16689 6.26783 10.2083 7.30265 10.9581 6.18136 numMergedOcc 0
17 mol 39 unq 1 iso 1 dist 7.45237 6.42248 8.16689 6.42104 8.43814 6.26783 10.2083 7.30265 6.18136 10.9581 numMergedOcc 0
18 mol 45 unq 0 iso 0 dist 9.20119 5.67689 8.59109 16.2375 8.13782 14.5783 12.466 5.81001 11.9463 4.51883 numMergedOcc 0
19 mol 45 unq 0 iso 1 dist 9.20119 16.2375 8.13782 5.67689 8.59109 14.5783 12.466 5.81001 4.51883 11.9463 numMergedOcc 0
20 mol 72 unq 0 iso 0 dist 7.321 7.11552 9.19459 7.17489 8.59747 4.64409 7.47371 9.14817 9.88768 12.6041 numMergedOcc 0
21 mol 72 unq 0 iso 1 dist 7.321 7.17489 8.59747 7.11552 9.19459 4.64409 7.47371 9.14817 12.6041 9.88768 numMergedOcc 0
22 mol 72 unq 1 iso 0 dist 7.321 7.11552 9.19459 7.17489 8.59747 4.64409 9.67587 9.76686 12.9007 15.1279 numMergedOcc 0
23 mol 72 unq 1 iso 1 dist 7.321 7.17489 8.59747 7.11552 9.19459 4.64409 9.67587 9.76686 15.1279 12.9007 numMergedOcc 0
24 mol 72 unq 2 iso 0 dist 7.321 7.11552 9.19459 7.17489 8.59747 4.64409 7.07356 9.437 12.9235 13.879 numMergedOcc 0
25 mol 72 unq 2 iso 1 dist 7.321 7.17489 8.59747 7.11552 9.19459 4.64409 7.07356 9.437 13.879 12.9235 numMergedOcc 0
26 mol 115 unq 0 iso 0 dist 7.76729 6.34759 7.99631 10.2377 6.40036 9.37623 6.63111 8.0168 6.04071 5.65471 numMergedOcc 0
27 mol 115 unq 0 iso 1 dist 7.76729 10.2377 6.40036 6.34759 7.99631 9.37623 6.63111 8.0168 5.65471 6.04071 numMergedOcc 0
28 mol 133 unq 0 iso 0 dist 7.92688 11.8989 9.94276 15.0734 9.05357 7.38238 14.8533 9.10003 7.789 6.11311 numMergedOcc 0
29 mol 133 unq 0 iso 1 dist 7.92688 15.0734 9.05357 11.8989 9.94276 7.38238 14.8533 9.10003 6.11311 7.789 numMergedOcc 0
30 mol 133 unq 1 iso 0 dist 7.92688 11.8989 9.94276 9.58627 5.99299 7.08159 14.8533 9.10003 7.789 5.74928 numMergedOcc 0
31 mol 133 unq 1 iso 1 dist 7.92688 9.58627 5.99299 11.8989 9.94276 7.08159 14.8533 9.10003 5.74928 7.789 numMergedOcc 0
32 mol 133 unq 1 iso 0 dist 7.92688 15.0734 9.05357 9.58627 5.99299 9.00907 14.8533 9.10003 6.11311 5.74928 numMergedOcc 0
33 mol 133 unq 1 iso 1 dist 7.92688 9.58627 5.99299 15.0734 9.05357 9.00907 14.8533 9.10003 5.74928 6.11311 numMergedOcc 0
34 mol 218 unq 0 iso 0 dist 7.17547 4.54272 8.57853 10.2673 6.75035 8.16398 15.6802 8.61306 16.2592 10.1772 numMergedOcc 0
35 mol 218 unq 0 iso 1 dist 7.17547 10.2673 6.75035 4.54272 8.57853 8.16398 15.6802 8.61306 10.1772 16.2592 numMergedOcc 0
36 mol 218 unq 1 iso 0 dist 7.13323 6.8949 8.57853 6.60235 6.75035 8.16398 13.7327 8.61306 16.2592 10.1772 numMergedOcc 0
37 mol 218 unq 1 iso 1 dist 7.13323 6.60235 6.75035 6.8949 8.57853 8.16398 13.7327 8.61306 10.1772 16.2592 numMergedOcc 0
38 mol 225 unq 0 iso 0 dist 5.50387 10.7506 8.75834 7.12954 9.36396 15.6443 4.7456 5.93063 11.3004 11.0634 numMergedOcc 0
39 mol 225 unq 0 iso 1 dist 5.50387 7.12954 9.36396 10.7506 8.75834 15.6443 4.7456 5.93063 11.0634 11.3004 numMergedOcc 0
40 mol 234 unq 0 iso 0 dist 9.5707 5.56749 8.49841 12.1076 9.6101 10.9755 3.95629 8.27411 6.00588 13.9373 numMergedOcc 0
41 mol 234 unq 0 iso 1 dist 9.5707 12.1076 9.6101 5.56749 8.49841 10.9755 3.95629 8.27411 13.9373 6.00588 numMergedOcc 0
42 mol 234 unq 1 iso 0 dist 9.5707 5.56749 8.49841 12.1076 9.6101 10.9755 15.9732 6.96257 14.8966 10.72 numMergedOcc 0
43 mol 234 unq 1 iso 1 dist 9.5707 12.1076 9.6101 5.56749 8.49841 10.9755 15.9732 6.96257 10.72 14.8966 numMergedOcc 0
44 mol 270 unq 0 iso 0 dist 8.25349 10.1677 9.16073 10.4895 8.39167 7.61559 6.81241 9.85255 4.69954 9.04454 numMergedOcc 0
45 mol 270 unq 0 iso 1 dist 8.25349 10.4895 8.39167 10.1677 9.16073 7.61559 6.81241 9.85255 9.04454 4.69954 numMergedOcc 0
