0 mol 8 unq 0 iso 0 dist 9.91301 13.8883 9.01112 16.9088 10.9495 6.56356 13.4857 12.3112 5.74008 7.89702 numMergedOcc 0
1 mol 30 unq 0 iso 0 dist 8.609 3.65941 6.74179 9.44073 5.34368 6.07517 10.7721 6.95343 8.74649 5.61656 numMergedOcc 0
2 mol 30 unq 1 iso 0 dist 8.609 3.65941 6.74179 9.44073 5.34368 6.07517 13.5373 11.0669 10.9847 7.22242 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 8.1599 5.46563 6.9103 14.3699 8.62608 9.69044 15.011 13.0088 9.55794 7.13406 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 6.18305 5.65986 7.4369 11.0671 5.4148 9.73086 12.2635 9.79143 10.4668 9.33919 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 8.06168 10.8798 5.61588 15.4463 8.07446 5.5087 14.4071 9.83298 4.25755 6.43377 numMergedOcc 0
6 mol 73 unq 2 iso 0 dist 8.06168 13.7267 7.83244 15.4463 8.07446 6.08682 14.4071 9.83298 6.08046 6.43377 numMergedOcc 0
7 mol 73 unq 3 iso 0 dist 8.67532 10.8441 5.61588 12.1964 8.07446 5.5087 14.2049 9.83298 4.25755 6.43377 numMergedOcc 0
8 mol 73 unq 4 iso 0 dist 8.67532 15.2203 7.83244 12.1964 8.07446 6.08682 14.2049 9.83298 6.08046 6.43377 numMergedOcc 0
9 mol 88 unq 0 iso 0 dist 9.72689 10.0429 7.80898 17.1552 12.1547 7.51139 17.4618 9.87388 9.68157 9.30559 numMergedOcc 0
10 mol 88 unq 1 iso 0 dist 7.74197 11.151 7.80898 14.2965 12.1547 7.51139 6.53925 9.87388 9.68157 9.30559 numMergedOcc 0
11 mol 119 unq 0 iso 0 dist 6.18763 5.92411 8.95212 5.63005 9.93257 7.64052 5.4578 9.70093 10.9729 6.69217 numMergedOcc 0
12 mol 119 unq 1 iso 0 dist 8.44385 5.92411 6.99446 6.18763 10.9871 8.95212 5.4578 11.3244 10.9729 9.70093 numMergedOcc 0
13 mol 119 unq 2 iso 0 dist 8.44385 5.92411 6.99446 5.63005 4.85907 7.64052 5.4578 11.3244 10.9729 6.69217 numMergedOcc 0
14 mol 119 unq 3 iso 0 dist 5.63005 5.92411 7.64052 6.18763 9.93257 8.95212 5.4578 6.69217 10.9729 9.70093 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 7.41378 4.76079 5.05973 10.8641 11.5866 9.01624 10.4248 13.0425 8.25265 8.47008 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 7.86368 9.8663 7.81215 11.8838 10.2693 5.64285 14.8046 12.2772 5.43679 9.07916 numMergedOcc 0
17 mol 234 unq 1 iso 0 dist 7.86368 9.8663 7.81215 11.8838 10.2693 5.64285 11.1368 6.35438 4.76962 9.57132 numMergedOcc 0
18 mol 259 unq 0 iso 0 dist 5.90645 9.54522 9.07743 9.73107 4.69778 7.66153 16.8679 11.9769 11.464 7.64122 numMergedOcc 0
19 mol 264 unq 0 iso 0 dist 7.36905 3.63202 5.90924 9.43335 7.07277 5.90058 5.63694 8.29556 4.46882 8.47755 numMergedOcc 0
20 mol 264 unq 1 iso 0 dist 6.83408 3.63202 9.58916 7.36905 8.96144 5.90924 5.63694 11.3076 4.46882 8.29556 numMergedOcc 0
21 mol 264 unq 2 iso 0 dist 6.83408 3.63202 9.58916 9.43335 14.3597 5.90058 5.63694 11.3076 4.46882 8.47755 numMergedOcc 0
