0 mol 17 unq 0 iso 0 dist 6.84727 4.67446 9.65377 5.41678 4.20667 7.30541 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 9.88556 6.73575 6.64564 11.0903 4.44768 9.26043 numMergedOcc 0
2 mol 62 unq 0 iso 0 dist 4.85282 10.8346 9.65672 14.3125 13.6772 8.73923 numMergedOcc 0
3 mol 94 unq 0 iso 0 dist 8.30482 11.6391 6.91081 15.4638 7.26952 7.85771 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 8.98053 9.92054 9.8067 11.7385 3.89552 9.09555 numMergedOcc 0
5 mol 100 unq 1 iso 0 dist 9.16879 5.50494 9.8067 10.6293 3.89552 9.09555 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 9.07222 5.58409 7.67429 13.7511 10.0549 8.49761 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 6.4822 10.3593 9.28415 11.4645 10.2381 5.68406 numMergedOcc 0
8 mol 141 unq 1 iso 0 dist 6.4822 10.3593 9.28415 17.009 16.7513 9.46329 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 9.72676 9.27504 5.83898 16.2839 7.45659 8.72113 numMergedOcc 0
10 mol 217 unq 0 iso 0 dist 8.09716 7.7281 8.60259 14.2894 9.34274 8.29482 numMergedOcc 0
11 mol 252 unq 0 iso 0 dist 9.15686 5.96422 8.99368 12.395 9.15581 7.50015 numMergedOcc 0
12 mol 252 unq 1 iso 0 dist 9.15686 5.96422 8.99368 12.0866 6.36131 8.33933 numMergedOcc 0
13 mol 252 unq 2 iso 0 dist 9.15686 5.96422 8.99368 7.51983 5.86631 5.95029 numMergedOcc 0
14 mol 258 unq 0 iso 0 dist 9.44043 11.49 9.17911 7.38265 3.89286 8.88518 numMergedOcc 0
15 mol 258 unq 1 iso 0 dist 5.3435 5.99858 9.17911 7.68949 3.89286 8.88518 numMergedOcc 0
16 mol 258 unq 2 iso 0 dist 8.28364 7.85691 9.17911 10.611 3.89286 8.88518 numMergedOcc 0
17 mol 272 unq 0 iso 0 dist 6.20857 12.7454 9.52059 9.31972 9.40901 8.85358 numMergedOcc 0
