0 mol 69 unq 0 iso 0 dist 7.00234 9.56859 10.4187 5.57378 7.03224 14.1843 16.4573 17.3076 7.41719 21.4405 numMergedOcc 0
1 mol 69 unq 1 iso 0 dist 7.00234 9.56859 10.4187 5.57378 7.03224 14.1843 15.491 17.6372 8.93237 19.6469 numMergedOcc 0
2 mol 69 unq 2 iso 0 dist 7.30652 5.75135 10.4187 10.3741 7.03224 14.1843 12.8766 17.3076 7.41719 21.4405 numMergedOcc 0
3 mol 69 unq 3 iso 0 dist 7.30652 5.75135 10.4187 10.3741 7.03224 14.1843 10.5183 17.6372 8.93237 19.6469 numMergedOcc 0
4 mol 83 unq 0 iso 0 dist 6.77845 9.94528 4.48523 9.39588 7.2118 7.69755 12.7931 12.2 9.55089 10.7694 numMergedOcc 0
5 mol 83 unq 1 iso 0 dist 5.48555 8.94777 4.48523 12.0034 7.2118 7.69755 15.2924 12.2 9.55089 10.7694 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 6.9268 4.82356 4.63862 8.75242 5.79195 9.35049 4.58564 6.00667 6.30568 7.72261 numMergedOcc 0
7 mol 133 unq 1 iso 0 dist 6.9268 4.82356 4.63862 14.0828 9.2759 10.3668 4.58564 6.00667 6.30568 15.0617 numMergedOcc 0
8 mol 133 unq 2 iso 0 dist 6.9268 4.82356 4.63862 15.4372 8.76088 13.1234 4.58564 6.00667 6.30568 13.0543 numMergedOcc 0
9 mol 133 unq 3 iso 0 dist 9.56319 8.22722 6.208 14.3149 8.8353 14.0891 13.9116 12.7082 9.88156 21.4526 numMergedOcc 0
10 mol 133 unq 4 iso 0 dist 9.73038 8.52036 6.208 17.9749 8.8353 14.0891 4.70999 12.7082 9.88156 21.4526 numMergedOcc 0
11 mol 133 unq 5 iso 0 dist 8.19166 8.83476 4.63862 6.45333 5.79195 9.35049 9.97131 6.00667 6.30568 7.72261 numMergedOcc 0
12 mol 133 unq 6 iso 0 dist 8.19166 8.83476 4.63862 11.5586 9.2759 10.3668 9.97131 6.00667 6.30568 15.0617 numMergedOcc 0
13 mol 133 unq 7 iso 0 dist 8.19166 8.83476 4.63862 14.3705 8.76088 13.1234 9.97131 6.00667 6.30568 13.0543 numMergedOcc 0
14 mol 136 unq 0 iso 0 dist 7.65792 8.59512 4.55722 4.65485 8.41727 10.4569 8.43256 11.1656 8.11959 10.8346 numMergedOcc 0
15 mol 147 unq 0 iso 0 dist 5.47265 8.76449 10.0388 7.75436 5.32865 14.6837 12.2185 13.305 8.62135 15.912 numMergedOcc 0
16 mol 258 unq 0 iso 0 dist 5.9223 6.61322 5.05766 10.1932 7.53199 10.2898 11.6457 9.12231 9.33223 5.02914 numMergedOcc 0
17 mol 258 unq 1 iso 0 dist 5.9223 6.61322 5.05766 9.26732 8.58092 5.94328 11.6457 9.12231 9.33223 5.52381 numMergedOcc 0
18 mol 258 unq 2 iso 0 dist 5.9223 6.61322 5.05766 6.72414 7.40014 7.91978 11.6457 9.12231 9.33223 6.0296 numMergedOcc 0
19 mol 265 unq 0 iso 0 dist 9.94957 5.8898 13.1075 4.47698 7.52632 9.92016 4.86847 9.74602 6.80043 5.57706 numMergedOcc 0
20 mol 287 unq 0 iso 0 dist 6.19545 6.16127 4.00861 5.27724 5.15923 6.25845 7.51649 12.3728 9.7875 10.9625 numMergedOcc 0
21 mol 287 unq 1 iso 0 dist 7.3388 6.16127 5.03775 5.66584 6.96774 9.31611 7.51649 8.05825 9.7875 4.38561 numMergedOcc 0
22 mol 287 unq 2 iso 0 dist 6.96248 6.16127 8.95194 5.66584 7.14859 9.31611 7.51649 11.0609 9.7875 4.38561 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 6.19545 6.16127 4.00861 5.27724 5.15923 6.25845 7.51649 12.3728 9.7875 10.9625 numMergedOcc 0
24 mol 288 unq 1 iso 0 dist 7.3388 6.16127 5.03775 5.66584 6.96774 9.31611 7.51649 8.05825 9.7875 4.38561 numMergedOcc 0
25 mol 288 unq 2 iso 0 dist 6.96248 6.16127 8.95194 5.66584 7.14859 9.31611 7.51649 11.0609 9.7875 4.38561 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 6.19545 6.16127 4.00861 5.27724 5.15923 6.25845 7.51649 12.3728 9.7875 10.9625 numMergedOcc 0
27 mol 289 unq 1 iso 0 dist 7.3388 6.16127 5.03775 5.66584 6.96774 9.31611 7.51649 8.05825 9.7875 4.38561 numMergedOcc 0
28 mol 289 unq 2 iso 0 dist 6.96248 6.16127 8.95194 5.66584 7.14859 9.31611 7.51649 11.0609 9.7875 4.38561 numMergedOcc 0
