0 mol 87 unq 0 iso 0 dist 8.21588 6.02518 6.97882 12.5355 10.6122 7.2833 numMergedOcc 0
1 mol 87 unq 1 iso 0 dist 6.62798 6.02518 9.4868 12.5355 14.6808 7.2833 numMergedOcc 0
2 mol 87 unq 2 iso 0 dist 8.15104 8.93266 6.97882 14.5159 10.6122 7.2833 numMergedOcc 0
3 mol 87 unq 3 iso 0 dist 9.94718 8.93266 9.4868 14.5159 14.6808 7.2833 numMergedOcc 0
4 mol 103 unq 0 iso 0 dist 5.8915 5.18043 7.52954 9.17671 5.56761 9.77978 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 7.47105 7.0088 7.17051 12.3974 6.53637 8.75007 numMergedOcc 0
6 mol 186 unq 0 iso 0 dist 9.35708 10.7753 5.31333 14.359 8.76824 8.40514 numMergedOcc 0
7 mol 187 unq 0 iso 0 dist 9.55621 10.2744 5.82577 13.5768 9.38569 5.95841 numMergedOcc 0
8 mol 188 unq 0 iso 0 dist 6.07498 6.34135 8.94864 8.5397 4.07548 9.99509 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 7.55389 4.74416 4.45738 9.71689 3.96829 6.99474 numMergedOcc 0
10 mol 204 unq 1 iso 0 dist 6.58174 10.0944 8.40718 11.6957 5.5367 7.95977 numMergedOcc 0
11 mol 204 unq 2 iso 0 dist 6.58174 10.0944 8.40718 18.2237 15.6599 8.17025 numMergedOcc 0
12 mol 205 unq 0 iso 0 dist 9.54443 8.10536 7.55333 9.6897 4.79799 8.00688 numMergedOcc 0
13 mol 214 unq 0 iso 0 dist 7.21766 5.58634 7.1951 12.0068 9.75439 6.99667 numMergedOcc 0
14 mol 214 unq 1 iso 0 dist 7.21766 5.58634 7.1951 11.1115 10.9516 6.22499 numMergedOcc 0
15 mol 217 unq 0 iso 0 dist 7.70005 9.47932 8.80103 12.4251 8.73011 6.00351 numMergedOcc 0
16 mol 226 unq 0 iso 0 dist 8.64849 8.63134 9.5942 8.99521 9.17371 6.54042 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 5.46484 5.05085 5.6568 7.89041 6.63806 9.56736 numMergedOcc 0
18 mol 236 unq 1 iso 0 dist 8.80671 10.8749 5.6568 15.2353 6.63806 9.56736 numMergedOcc 0
19 mol 287 unq 0 iso 0 dist 4.98604 4.91435 7.47179 7.41656 5.81104 9.70244 numMergedOcc 0
20 mol 288 unq 0 iso 0 dist 4.98604 4.91435 7.47179 7.41656 5.81104 9.70244 numMergedOcc 0
21 mol 289 unq 0 iso 0 dist 4.98604 4.91435 7.47179 7.41656 5.81104 9.70244 numMergedOcc 0
