0 mol 11 unq 0 iso 0 dist 6.56599 5.19841 5.43238 5.47299 3.66215 4.79838 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 6.35021 5.11518 5.43238 5.40468 3.56133 5.25331 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 6.75771 7.10504 7.71914 14.5807 11.418 9.29284 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 5.90246 5.80384 7.71914 13.881 11.418 9.29284 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 9.9648 11.5787 6.96494 14.7785 5.87305 7.07522 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 9.9648 11.5787 6.96494 18.607 11.3972 9.15753 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 9.9648 6.06895 7.01363 9.33736 4.43437 8.98478 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 6.06039 10.7702 8.39249 16.5264 12.4143 7.93956 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 5.89833 10.7557 9.40622 14.0626 10.4087 7.61421 numMergedOcc 0
9 mol 193 unq 0 iso 0 dist 6.00381 5.12102 6.33838 9.00084 4.69617 6.21648 numMergedOcc 0
10 mol 204 unq 0 iso 0 dist 6.35305 9.31022 5.89018 12.8257 6.68247 7.76863 numMergedOcc 0
11 mol 204 unq 1 iso 0 dist 9.23348 11.6466 5.89018 13.697 6.68247 7.76863 numMergedOcc 0
12 mol 213 unq 0 iso 0 dist 7.48151 13.6126 8.74171 9.48257 8.90887 7.77553 numMergedOcc 0
13 mol 228 unq 0 iso 0 dist 6.66395 7.5464 7.46689 11.6048 5.63283 8.29523 numMergedOcc 0
14 mol 228 unq 1 iso 0 dist 8.2286 10.7923 8.37287 9.45974 3.65229 8.29523 numMergedOcc 0
15 mol 228 unq 2 iso 0 dist 6.51052 7.64327 7.09766 11.3904 5.34726 8.13557 numMergedOcc 0
16 mol 228 unq 3 iso 0 dist 8.5965 10.784 8.07174 9.86348 3.62742 8.13557 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.61559 5.2539 6.00721 11.5692 6.07223 8.71877 numMergedOcc 0
18 mol 239 unq 0 iso 0 dist 8.64747 10.9732 6.34801 10.5501 3.89756 9.82674 numMergedOcc 0
19 mol 239 unq 1 iso 0 dist 6.98781 4.81796 7.25543 9.58325 3.78476 8.08777 numMergedOcc 0
20 mol 282 unq 0 iso 0 dist 5.98155 5.36361 6.73692 9.60384 3.70701 9.08606 numMergedOcc 0
