0 mol 48 unq 0 iso 0 dist 6.04551 8.69374 7.92359 7.44442 4.96308 4.8587 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 6.31161 8.69374 5.59983 7.44442 7.11559 4.8587 numMergedOcc 0
2 mol 63 unq 0 iso 0 dist 9.35912 9.25631 14.1737 9.16658 10.9414 5.93759 numMergedOcc 0
3 mol 63 unq 1 iso 0 dist 9.35912 9.25631 14.1737 8.94047 10.57 5.28601 numMergedOcc 0
4 mol 100 unq 0 iso 0 dist 6.60356 7.52622 6.1312 6.14415 6.04919 3.76956 numMergedOcc 0
5 mol 105 unq 0 iso 0 dist 8.80388 8.85561 7.75467 5.74652 9.68577 5.48708 numMergedOcc 0
6 mol 105 unq 1 iso 0 dist 7.28156 8.85561 4.32716 5.74652 7.14906 5.48708 numMergedOcc 0
7 mol 163 unq 0 iso 0 dist 9.85967 6.35103 9.38747 6.96572 5.82796 8.02989 numMergedOcc 0
8 mol 163 unq 1 iso 0 dist 9.85967 6.35103 9.38747 9.29539 10.8136 5.57459 numMergedOcc 0
9 mol 173 unq 0 iso 0 dist 5.97008 7.90789 8.51683 4.0037 8.32122 11.8803 numMergedOcc 0
10 mol 173 unq 1 iso 0 dist 5.97008 4.13397 8.00155 4.0037 8.32122 6.94278 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 9.08767 7.62128 14.8895 5.67811 8.32573 11.5819 numMergedOcc 0
12 mol 186 unq 1 iso 0 dist 9.08767 7.62128 14.8895 8.74308 16.45 3.84531 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 7.35148 8.01243 5.72234 8.31564 6.57369 3.65675 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 7.35148 9.55264 13.2318 8.31564 6.57369 16.1586 numMergedOcc 0
15 mol 239 unq 0 iso 0 dist 8.34832 7.55125 15.3356 9.36997 12.8764 13.3071 numMergedOcc 0
16 mol 239 unq 1 iso 0 dist 8.34832 7.55125 15.3356 9.97907 14.9673 9.71331 numMergedOcc 0
17 mol 239 unq 2 iso 0 dist 8.34832 7.55125 15.3356 8.83751 8.27455 11.866 numMergedOcc 0
18 mol 239 unq 3 iso 0 dist 8.34832 7.55125 15.3356 8.77688 13.5505 6.327 numMergedOcc 0
19 mol 284 unq 0 iso 0 dist 9.47963 8.52276 4.91763 9.12227 12.8423 10.4558 numMergedOcc 0
20 mol 284 unq 1 iso 0 dist 9.47963 7.55623 4.127 9.12227 12.8423 13.0015 numMergedOcc 0
