0 mol 28 unq 0 iso 0 dist 9.32784 10.9344 5.75809 15.2122 9.52052 9.56722 numMergedOcc 0
1 mol 37 unq 0 iso 0 dist 7.47638 3.96491 8.5893 9.53774 10.2809 6.32052 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 8.06519 3.42062 7.32699 8.38139 11.6226 9.07283 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 7.54027 3.42062 6.45933 8.38139 6.87877 9.07283 numMergedOcc 0
4 mol 96 unq 0 iso 0 dist 9.63062 6.0108 7.68964 6.89038 9.20656 8.6548 numMergedOcc 0
5 mol 96 unq 1 iso 0 dist 9.63062 6.0108 7.68964 10.8042 7.54186 6.02608 numMergedOcc 0
6 mol 116 unq 0 iso 0 dist 6.05736 9.87425 6.82267 14.5824 9.13854 6.98134 numMergedOcc 0
7 mol 116 unq 1 iso 0 dist 6.05736 9.87425 6.82267 11.4897 5.50076 8.55413 numMergedOcc 0
8 mol 116 unq 2 iso 0 dist 8.34007 6.88393 6.82267 8.93633 9.13854 6.98134 numMergedOcc 0
9 mol 116 unq 3 iso 0 dist 8.34007 6.88393 6.82267 7.56091 5.50076 8.55413 numMergedOcc 0
10 mol 239 unq 0 iso 0 dist 9.26044 11.2097 7.14918 7.02833 4.30527 7.45508 numMergedOcc 0
11 mol 239 unq 1 iso 0 dist 9.26044 6.10489 9.29322 7.02833 4.30527 5.79883 numMergedOcc 0
12 mol 274 unq 0 iso 0 dist 9.92578 3.53612 7.70811 9.71015 8.60551 6.32853 numMergedOcc 0
13 mol 283 unq 0 iso 0 dist 7.11407 9.8348 9.33601 11.9632 10.9203 9.82274 numMergedOcc 0
14 mol 283 unq 1 iso 0 dist 7.11407 9.8348 9.33601 9.74822 5.72409 7.17276 numMergedOcc 0
15 mol 287 unq 0 iso 0 dist 8.85872 3.76412 9.2144 12.4395 13.1162 9.03468 numMergedOcc 0
16 mol 287 unq 1 iso 0 dist 8.85872 3.76412 9.2144 5.06731 13.3584 6.05363 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 8.85872 3.76412 9.2144 12.4395 13.1162 9.03468 numMergedOcc 0
18 mol 288 unq 1 iso 0 dist 8.85872 3.76412 9.2144 5.06731 13.3584 6.05363 numMergedOcc 0
19 mol 289 unq 0 iso 0 dist 8.85872 3.76412 9.2144 12.4395 13.1162 9.03468 numMergedOcc 0
20 mol 289 unq 1 iso 0 dist 8.85872 3.76412 9.2144 5.06731 13.3584 6.05363 numMergedOcc 0
