0 mol 7 unq 0 iso 0 dist 8.36111 5.77391 6.1206 17.4437 9.87885 13.2247 5.99898 4.80709 7.67927 14.1836 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 6.21616 5.61445 6.42835 5.70228 7.65889 10.2656 9.45103 6.09368 6.57331 13.1847 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 9.45103 5.61445 6.57331 12.5048 8.43054 6.92781 6.21616 6.09368 6.42835 11.0298 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 9.95169 4.96681 9.48085 12.2441 9.49421 10.9391 9.55662 12.7147 4.79873 12.3944 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 9.95169 12.2441 9.49421 4.96681 9.48085 10.9391 14.5916 12.1732 6.55597 11.037 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 9.95169 12.2441 9.49421 4.96681 9.48085 10.9391 17.19 8.99147 9.71956 14.581 numMergedOcc 0
6 mol 25 unq 3 iso 0 dist 9.95169 12.2441 9.49421 4.96681 9.48085 10.9391 15.9245 9.54872 7.07751 13.0315 numMergedOcc 0
7 mol 25 unq 4 iso 0 dist 9.95169 12.2441 9.49421 4.96681 9.48085 10.9391 19.8568 14.6175 8.23761 17.2964 numMergedOcc 0
8 mol 25 unq 5 iso 0 dist 9.95169 12.2441 9.49421 4.96681 9.48085 10.9391 18.8773 16.0628 7.52933 16.4232 numMergedOcc 0
9 mol 72 unq 0 iso 0 dist 8.16985 6.12361 6.21799 10.1721 9.74228 7.04035 7.81344 3.43675 5.03251 10.7906 numMergedOcc 0
10 mol 72 unq 1 iso 0 dist 8.16985 6.12361 6.21799 10.1721 9.74228 7.04035 5.49421 5.75711 7.66093 12.952 numMergedOcc 0
11 mol 72 unq 2 iso 0 dist 8.16985 6.12361 6.21799 11.6369 7.12321 8.24309 7.81344 3.43675 5.03251 9.35457 numMergedOcc 0
12 mol 72 unq 3 iso 0 dist 8.16985 6.12361 6.21799 11.6369 7.12321 8.24309 5.49421 5.75711 7.66093 12.1131 numMergedOcc 0
13 mol 72 unq 4 iso 0 dist 7.81344 6.12361 5.03251 11.4334 9.56773 5.8486 8.16985 3.43675 6.21799 10.9808 numMergedOcc 0
14 mol 72 unq 5 iso 0 dist 7.81344 6.12361 5.03251 11.4334 9.56773 5.8486 5.49421 5.26077 7.66093 13.336 numMergedOcc 0
15 mol 72 unq 6 iso 0 dist 7.49245 5.43672 5.03251 7.58401 9.56773 5.8486 10.226 3.43675 6.21799 10.9808 numMergedOcc 0
16 mol 72 unq 7 iso 0 dist 7.49245 5.43672 5.03251 7.58401 9.56773 5.8486 8.9225 5.26077 7.66093 13.336 numMergedOcc 0
17 mol 98 unq 0 iso 0 dist 6.74197 11.0642 7.54889 12.31 9.64383 13.659 12.3653 6.70343 5.2571 14.0897 numMergedOcc 0
18 mol 98 unq 1 iso 0 dist 6.74197 11.0642 7.54889 7.71768 7.78931 5.02887 12.3653 6.70343 5.2571 8.7497 numMergedOcc 0
19 mol 98 unq 2 iso 0 dist 6.74197 7.71768 7.78931 12.31 9.64383 14.591 12.3653 6.70343 8.7497 14.0897 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 6.74197 7.71768 7.78931 11.0642 7.54889 5.02887 12.3653 6.70343 8.7497 5.2571 numMergedOcc 0
21 mol 109 unq 0 iso 0 dist 5.58623 5.25186 7.86666 13.5568 9.77497 17.2949 9.05604 7.49425 6.29161 15.7676 numMergedOcc 0
22 mol 134 unq 0 iso 0 dist 7.49352 10.5666 5.35237 14.3463 7.99477 6.90348 11.0722 6.05407 8.70621 11.8779 numMergedOcc 0
23 mol 134 unq 1 iso 0 dist 7.49352 14.3463 7.99477 10.5666 5.35237 6.90348 9.78764 4.87973 9.00918 9.69086 numMergedOcc 0
24 mol 142 unq 0 iso 0 dist 5.90339 8.68855 7.81207 5.50176 6.14151 5.32922 15.501 13.4681 7.18002 10.7696 numMergedOcc 0
25 mol 207 unq 0 iso 0 dist 9.3 10.0122 9.98372 9.87241 6.0563 5.99308 6.76443 4.66347 9.1528 8.1244 numMergedOcc 0
26 mol 207 unq 1 iso 0 dist 9.3 9.87241 6.0563 10.0122 9.98372 5.99308 13.693 6.07936 5.12567 10.4761 numMergedOcc 0
27 mol 207 unq 2 iso 0 dist 9.3 9.87241 6.0563 10.0122 9.98372 5.99308 6.76443 4.66347 8.1244 9.1528 numMergedOcc 0
28 mol 207 unq 3 iso 0 dist 8.25861 4.4545 9.98372 5.62653 6.0563 5.99308 8.5067 4.66347 9.1528 8.1244 numMergedOcc 0
29 mol 207 unq 4 iso 0 dist 8.25861 5.62653 6.0563 4.4545 9.98372 5.99308 8.01415 6.07936 5.12567 10.4761 numMergedOcc 0
30 mol 207 unq 5 iso 0 dist 8.25861 5.62653 6.0563 4.4545 9.98372 5.99308 8.5067 4.66347 8.1244 9.1528 numMergedOcc 0
31 mol 207 unq 6 iso 0 dist 8.61191 14.6821 9.1528 14.5186 8.1244 5.99308 11.9271 4.66347 9.98372 6.0563 numMergedOcc 0
32 mol 207 unq 7 iso 0 dist 8.61191 14.5186 8.1244 14.6821 9.1528 5.99308 17.4548 10.1734 5.12567 10.4761 numMergedOcc 0
33 mol 207 unq 8 iso 0 dist 8.61191 14.5186 8.1244 14.6821 9.1528 5.99308 11.9271 4.66347 6.0563 9.98372 numMergedOcc 0
34 mol 207 unq 9 iso 0 dist 6.76443 10.0122 9.1528 9.87241 8.1244 5.99308 9.3 4.66347 9.98372 6.0563 numMergedOcc 0
35 mol 207 unq 10 iso 0 dist 6.76443 9.87241 8.1244 10.0122 9.1528 5.99308 13.693 10.1734 5.12567 10.4761 numMergedOcc 0
36 mol 207 unq 11 iso 0 dist 6.76443 9.87241 8.1244 10.0122 9.1528 5.99308 9.3 4.66347 6.0563 9.98372 numMergedOcc 0
37 mol 207 unq 12 iso 0 dist 8.5067 4.4545 9.1528 5.62653 8.1244 5.99308 8.25861 4.66347 9.98372 6.0563 numMergedOcc 0
38 mol 207 unq 13 iso 0 dist 8.5067 5.62653 8.1244 4.4545 9.1528 5.99308 8.01415 10.1734 5.12567 10.4761 numMergedOcc 0
39 mol 207 unq 14 iso 0 dist 8.5067 5.62653 8.1244 4.4545 9.1528 5.99308 8.25861 4.66347 6.0563 9.98372 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 6.50932 14.2513 8.19317 8.38435 5.1823 7.218 10.0621 4.8835 6.29377 5.70635 numMergedOcc 0
41 mol 235 unq 1 iso 0 dist 6.50932 8.38435 5.1823 14.2513 8.19317 7.218 10.0621 4.8835 5.70635 6.29377 numMergedOcc 0
42 mol 259 unq 0 iso 0 dist 6.95658 6.80302 7.66153 5.20592 9.07743 4.69778 14.7473 10.3051 9.63573 12.8229 numMergedOcc 0
