0 mol 17 unq 0 iso 0 dist 6.76604 7.30541 6.48378 8.58468 8.23357 5.67737 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 6.76604 7.30541 6.48378 9.83791 11.5852 8.56005 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 6.76604 7.30541 6.48378 7.95007 12.3685 8.04504 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.94728 8.88399 6.74888 9.08536 4.71974 6.08168 numMergedOcc 0
4 mol 48 unq 0 iso 0 dist 8.38139 9.66461 8.5248 7.99735 5.0573 10.9256 numMergedOcc 0
5 mol 85 unq 0 iso 0 dist 7.52742 6.27877 4.75717 9.37034 4.77114 4.74629 numMergedOcc 0
6 mol 85 unq 1 iso 0 dist 7.52742 6.27877 4.75717 6.60091 4.4924 7.39588 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 6.4081 9.18095 5.43823 9.11115 4.79997 9.61282 numMergedOcc 0
8 mol 109 unq 0 iso 0 dist 9.45085 7.39303 10.4606 5.56645 4.69562 8.55838 numMergedOcc 0
9 mol 125 unq 0 iso 0 dist 7.0188 6.31546 11.9038 9.5205 13.2837 12.7481 numMergedOcc 0
10 mol 125 unq 1 iso 0 dist 7.0188 6.31546 11.9038 7.1608 8.93863 11.663 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 7.39164 9.83904 5.54391 9.77271 4.62365 4.09491 numMergedOcc 0
12 mol 233 unq 0 iso 0 dist 6.28379 6.50096 7.15553 9.46821 9.90504 9.40355 numMergedOcc 0
13 mol 233 unq 1 iso 0 dist 9.29279 6.50096 10.2283 9.46821 4.94129 9.40355 numMergedOcc 0
14 mol 233 unq 2 iso 0 dist 8.91643 9.91416 7.15553 8.52401 9.90504 9.40355 numMergedOcc 0
15 mol 233 unq 3 iso 0 dist 8.79848 9.91416 10.2283 8.52401 4.94129 9.40355 numMergedOcc 0
16 mol 247 unq 0 iso 0 dist 6.52457 6.23164 10.2114 9.1947 5.35312 14.5242 numMergedOcc 0
17 mol 247 unq 1 iso 0 dist 6.52457 6.23164 10.2114 6.97395 5.05326 7.01958 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 8.80432 7.56716 9.13204 9.85857 5.87133 5.1925 numMergedOcc 0
19 mol 280 unq 0 iso 0 dist 9.69573 7.31523 14.6308 8.71581 6.22294 15.4348 numMergedOcc 0
20 mol 280 unq 1 iso 0 dist 9.69573 7.60676 16.5434 8.71581 6.22294 13.219 numMergedOcc 0
21 mol 280 unq 2 iso 0 dist 6.42515 7.61357 13.3704 9.79817 6.22294 16.4761 numMergedOcc 0
22 mol 280 unq 3 iso 0 dist 6.42515 8.67836 14.6308 9.79817 6.22294 15.4348 numMergedOcc 0
23 mol 280 unq 4 iso 0 dist 9.8581 7.61357 14.1092 9.79817 12.9626 16.4761 numMergedOcc 0
24 mol 280 unq 5 iso 0 dist 9.8581 8.67836 18.3519 9.79817 12.9626 15.4348 numMergedOcc 0
25 mol 283 unq 0 iso 0 dist 9.74822 9.16563 5.96063 8.57375 11.4035 9.83224 numMergedOcc 0
