0 mol 95 unq 0 iso 0 dist 8.07365 15.5913 9.02255 23.7182 18.3853 9.90769 numMergedOcc 0
1 mol 95 unq 1 iso 0 dist 8.07365 11.9794 7.89797 12.3834 8.41707 6.12086 numMergedOcc 0
2 mol 95 unq 2 iso 0 dist 6.86713 5.36123 6.12086 12.4296 8.41707 7.89797 numMergedOcc 0
3 mol 109 unq 0 iso 0 dist 9.26438 12.0163 5.8729 13.8343 4.98336 6.73551 numMergedOcc 0
4 mol 109 unq 1 iso 0 dist 6.43255 3.6217 5.8729 9.27088 4.98336 6.73551 numMergedOcc 0
5 mol 109 unq 2 iso 0 dist 7.4389 6.64703 5.8729 7.24527 4.98336 6.73551 numMergedOcc 0
6 mol 109 unq 3 iso 0 dist 7.24527 6.64703 6.73551 7.4389 4.98336 5.8729 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 7.85583 5.44644 5.43031 12.6172 4.8896 9.23352 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 8.86938 8.92091 5.43031 12.679 4.8896 9.23352 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 8.66715 3.84472 6.70271 9.00172 8.18495 6.2109 numMergedOcc 0
10 mol 133 unq 1 iso 0 dist 9.00172 3.84472 6.2109 8.66715 8.18495 6.70271 numMergedOcc 0
11 mol 133 unq 2 iso 0 dist 8.95433 14.5262 6.70271 13.7786 8.18495 6.2109 numMergedOcc 0
12 mol 142 unq 0 iso 0 dist 8.86346 13.8363 6.90378 13.95 5.32922 7.01955 numMergedOcc 0
13 mol 142 unq 1 iso 0 dist 4.93681 10.563 6.90378 9.86383 5.32922 7.01955 numMergedOcc 0
14 mol 154 unq 0 iso 0 dist 6.44195 11.6914 8.62155 11.5398 5.62851 9.31721 numMergedOcc 0
15 mol 172 unq 0 iso 0 dist 7.63635 5.46713 9.73187 9.94649 10.4836 9.8064 numMergedOcc 0
16 mol 172 unq 1 iso 0 dist 9.94649 5.46713 9.8064 7.63635 10.4836 9.73187 numMergedOcc 0
17 mol 196 unq 0 iso 0 dist 9.23836 17.5342 9.99721 16.6441 7.5617 8.95053 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 9.61741 5.03854 7.67993 5.61056 7.0568 8.03669 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 5.61056 5.03854 8.03669 9.61741 7.0568 7.67993 numMergedOcc 0
20 mol 271 unq 0 iso 0 dist 7.9494 6.98771 9.24279 11.6255 10.5503 5.86247 numMergedOcc 0
