0 mol 29 unq 0 iso 0 dist 5.36278 4.10356 7.28761 12.4023 13.735 8.94936 numMergedOcc 0
1 mol 29 unq 1 iso 0 dist 7.50258 10.3687 7.28761 19.0554 13.735 8.94936 numMergedOcc 0
2 mol 30 unq 0 iso 0 dist 8.12541 6.87625 6.39025 15.2621 9.36356 9.27081 numMergedOcc 0
3 mol 43 unq 0 iso 0 dist 8.84944 10.9311 7.32236 19.6842 13.1056 9.07906 numMergedOcc 0
4 mol 43 unq 1 iso 0 dist 8.84944 10.9311 7.32236 16.3573 13.0177 8.75567 numMergedOcc 0
5 mol 43 unq 2 iso 0 dist 7.21995 6.43999 7.32236 10.6604 13.1056 9.07906 numMergedOcc 0
6 mol 43 unq 3 iso 0 dist 7.21995 6.43999 7.32236 14.806 13.0177 8.75567 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 9.11512 6.20622 9.52436 9.9827 7.76674 6.44791 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 8.90896 17.8503 9.20427 12.8368 4.60412 6.13011 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 7.58027 11.6826 9.8821 12.0787 13.5661 5.62694 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 4.34694 11.6826 8.80003 12.0787 11.1406 5.62694 numMergedOcc 0
11 mol 132 unq 0 iso 0 dist 6.94745 3.8377 7.28945 6.495 5.28089 5.36351 numMergedOcc 0
12 mol 152 unq 0 iso 0 dist 9.65031 10.9552 9.17101 19.3797 13.793 8.86966 numMergedOcc 0
13 mol 152 unq 1 iso 0 dist 9.65031 10.9552 9.17101 15.7694 11.2124 5.7527 numMergedOcc 0
14 mol 152 unq 2 iso 0 dist 8.51844 6.05258 9.17101 10.5594 13.793 8.86966 numMergedOcc 0
15 mol 152 unq 3 iso 0 dist 8.51844 6.05258 9.17101 10.166 11.2124 5.7527 numMergedOcc 0
16 mol 159 unq 0 iso 0 dist 6.86212 4.72814 7.85744 8.55431 5.10423 6.32159 numMergedOcc 0
17 mol 170 unq 0 iso 0 dist 4.44987 5.80243 7.45761 7.15418 4.81264 6.01758 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 6.72718 11.4764 8.11956 6.99623 5.25279 9.37545 numMergedOcc 0
19 mol 186 unq 1 iso 0 dist 6.72718 11.4764 8.11956 11.2207 9.29114 6.02579 numMergedOcc 0
20 mol 192 unq 0 iso 0 dist 6.2016 7.71442 5.90008 11.6579 9.17442 8.63044 numMergedOcc 0
21 mol 210 unq 0 iso 0 dist 8.05949 11.533 6.93215 10.7281 5.92474 5.62219 numMergedOcc 0
22 mol 240 unq 0 iso 0 dist 7.19218 3.72896 6.91279 6.83069 5.36005 5.31041 numMergedOcc 0
23 mol 261 unq 0 iso 0 dist 7.58385 10.8524 9.66703 11.3146 6.79406 8.19348 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 7.83793 12.7862 8.82519 10.8434 8.00087 7.83245 numMergedOcc 0
25 mol 282 unq 0 iso 0 dist 8.54984 10.7231 9.82919 11.1193 6.62554 8.39723 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 5.15923 13.3487 9.82863 13.6466 12.5774 9.29241 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 5.15923 13.3487 9.82863 13.6466 12.5774 9.29241 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 5.15923 13.3487 9.82863 13.6466 12.5774 9.29241 numMergedOcc 0
