0 mol 11 unq 0 iso 0 dist 9.65468 9.13894 6.58714 9.57732 11.6799 5.71608 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.13662 9.13894 9.65952 9.57732 4.9024 5.71608 numMergedOcc 0
2 mol 11 unq 2 iso 0 dist 9.14139 9.13894 9.22103 9.57732 9.42244 5.71608 numMergedOcc 0
3 mol 12 unq 0 iso 0 dist 6.91627 5.76006 7.18195 7.86307 11.0859 4.98378 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 8.68381 6.50646 7.7624 7.13638 10.3974 6.82593 numMergedOcc 0
5 mol 61 unq 0 iso 0 dist 8.65313 9.97224 14.6641 8.21985 10.2546 4.86242 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 9.72287 8.00221 6.64905 8.73104 4.4449 5.29079 numMergedOcc 0
7 mol 64 unq 1 iso 0 dist 9.72287 8.00221 6.64905 9.31622 10.2051 5.78769 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 9.79412 6.98876 9.41527 6.18729 7.62048 5.07584 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 8.65822 6.98876 8.14333 6.18729 8.44086 5.07584 numMergedOcc 0
10 mol 110 unq 0 iso 0 dist 8.36172 7.67702 11.3462 9.58164 10.3999 5.17209 numMergedOcc 0
11 mol 123 unq 0 iso 0 dist 7.25497 6.36344 4.10446 9.07289 6.08047 7.07913 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 8.30966 9.59193 8.81393 9.65224 13.0391 6.02772 numMergedOcc 0
13 mol 226 unq 0 iso 0 dist 7.9801 4.61854 6.86949 6.86439 9.92842 5.17976 numMergedOcc 0
14 mol 226 unq 1 iso 0 dist 6.17825 4.61854 5.14305 6.86439 6.25647 5.17976 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 9.61428 5.59164 4.34203 9.13022 8.59287 6.23871 numMergedOcc 0
16 mol 259 unq 0 iso 0 dist 6.83706 8.13376 4.77489 5.68415 7.53102 11.3446 numMergedOcc 0
17 mol 265 unq 0 iso 0 dist 6.98451 5.14122 4.86847 5.88787 6.97049 4.98228 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 6.86805 9.84057 7.00525 6.41474 10.0609 14.5785 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 6.86805 7.87939 10.8888 6.41474 10.0609 4.75686 numMergedOcc 0
20 mol 266 unq 2 iso 0 dist 9.8678 6.55208 4.98576 8.91185 10.5909 11.1728 numMergedOcc 0
21 mol 266 unq 3 iso 0 dist 9.8678 6.55208 4.98576 9.28273 16.7592 15.2675 numMergedOcc 0
22 mol 266 unq 4 iso 0 dist 8.00278 6.55208 4.0473 8.91185 9.20087 11.1728 numMergedOcc 0
23 mol 266 unq 5 iso 0 dist 8.00278 6.55208 4.0473 9.28273 15.6855 15.2675 numMergedOcc 0
24 mol 266 unq 6 iso 0 dist 9.10275 7.17562 4.98576 7.98461 12.7711 12.9915 numMergedOcc 0
25 mol 266 unq 7 iso 0 dist 9.10275 7.17562 4.98576 5.60932 10.5909 11.1728 numMergedOcc 0
26 mol 266 unq 8 iso 0 dist 6.13722 7.17562 4.0473 7.98461 9.5105 12.9915 numMergedOcc 0
27 mol 266 unq 9 iso 0 dist 6.13722 7.17562 4.0473 5.60932 9.20087 11.1728 numMergedOcc 0
