0 mol 7 unq 0 iso 0 dist 9.8603 9.30196 7.15434 5.77374 5.70161 6.0323 9.33944 6.22805 5.85668 8.0166 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 8.609 4.64354 6.83481 13.4305 6.40527 9.72314 10.8023 8.37503 6.78528 7.83595 numMergedOcc 0
2 mol 73 unq 0 iso 0 dist 8.2377 6.46551 6.10011 12.2228 8.04817 7.84699 7.98579 4.24428 6.13631 5.39171 numMergedOcc 0
3 mol 73 unq 1 iso 0 dist 8.2377 6.46551 6.10011 14.5455 9.76331 8.40844 7.98579 4.24428 6.13631 9.27355 numMergedOcc 0
4 mol 73 unq 2 iso 0 dist 8.2377 6.46551 6.10011 12.578 10.4402 6.99156 7.98579 4.24428 6.13631 8.60363 numMergedOcc 0
5 mol 73 unq 3 iso 0 dist 8.2377 6.46551 6.10011 12.578 10.4402 6.99156 17.6119 16.702 11.9439 9.27331 numMergedOcc 0
6 mol 73 unq 4 iso 0 dist 6.18305 12.2435 8.124 5.58346 5.2774 7.84699 7.53682 6.30194 6.13631 5.39171 numMergedOcc 0
7 mol 73 unq 5 iso 0 dist 6.18305 12.2435 8.124 9.10386 5.44275 8.40844 7.53682 6.30194 6.13631 9.27355 numMergedOcc 0
8 mol 73 unq 6 iso 0 dist 6.18305 12.2435 8.124 10.4391 8.0624 6.99156 7.53682 6.30194 6.13631 8.60363 numMergedOcc 0
9 mol 73 unq 7 iso 0 dist 6.18305 12.2435 8.124 10.4391 8.0624 6.99156 18.8887 14.6804 11.9439 9.27331 numMergedOcc 0
10 mol 212 unq 0 iso 0 dist 5.87223 12.1126 9.47932 14.4767 9.7586 6.41916 10.1355 7.87125 4.78007 9.26387 numMergedOcc 0
11 mol 212 unq 1 iso 0 dist 8.062 4.95466 9.47932 7.73701 9.7586 6.41916 7.5418 7.87125 4.78007 9.26387 numMergedOcc 0
12 mol 212 unq 2 iso 0 dist 8.70011 11.245 9.47932 14.1474 9.7586 6.41916 11.1789 7.87125 4.78007 9.26387 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 6.9398 6.7488 4.851 6.2441 8.31343 5.98076 7.15853 10.6908 6.82687 4.61671 numMergedOcc 0
14 mol 218 unq 1 iso 0 dist 6.9398 6.7488 4.851 6.2441 8.31343 5.98076 5.7173 12.5172 10.8844 8.44004 numMergedOcc 0
15 mol 219 unq 0 iso 0 dist 4.87446 6.28221 6.8424 9.52151 10.9246 7.98941 7.00921 10.3945 7.61939 4.67452 numMergedOcc 0
16 mol 219 unq 1 iso 0 dist 4.87446 6.28221 6.8424 9.52151 10.9246 7.98941 10.3376 12.2725 5.58316 9.86916 numMergedOcc 0
17 mol 265 unq 0 iso 0 dist 9.772 10.5191 5.3051 11.5231 5.11366 5.10595 9.91968 7.54805 5.46523 4.03921 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 8.12852 4.55986 9.07043 3.90274 5.73592 6.35457 5.01049 10.3469 5.08317 5.28417 numMergedOcc 0
19 mol 274 unq 0 iso 0 dist 9.52894 9.82234 8.71129 13.0047 13.1879 5.59151 17.9835 15.0228 9.24343 6.12202 numMergedOcc 0
20 mol 274 unq 1 iso 0 dist 9.52894 9.82234 8.71129 13.604 5.7745 8.17922 22.3156 14.7203 14.9337 9.07452 numMergedOcc 0
21 mol 274 unq 2 iso 0 dist 9.52894 9.82234 8.71129 13.604 5.7745 8.17922 13.9843 10.3376 6.26074 6.44266 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 7.88897 5.24499 7.07459 12.4757 13.8339 9.42812 15.2481 18.919 13.1 6.23539 numMergedOcc 0
