0 mol 5 unq 0 iso 0 dist 6.04331 4.07788 9.21695 6.96805 7.44987 7.8351 numMergedOcc 0
1 mol 9 unq 0 iso 0 dist 9.9919 7.74667 7.38017 17.1218 11.569 9.47321 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.52295 12.381 8.75567 15.3086 6.33492 9.58938 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 6.64933 4.0486 9.54952 5.74637 5.05425 7.76275 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 4.83495 6.88024 8.99376 9.00234 5.9762 8.72971 numMergedOcc 0
5 mol 91 unq 1 iso 0 dist 5.11803 6.88024 7.37948 9.00234 4.8101 8.72971 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 6.29634 5.3154 6.16081 9.82219 10.1693 6.85677 numMergedOcc 0
7 mol 127 unq 0 iso 0 dist 9.91321 7.698 6.54744 14.6454 5.82731 8.41848 numMergedOcc 0
8 mol 132 unq 0 iso 0 dist 5.25894 4.90475 5.36351 9.00166 9.37399 6.2403 numMergedOcc 0
9 mol 132 unq 1 iso 0 dist 5.25894 4.90475 5.36351 7.16287 3.8377 6.495 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 9.32503 6.15159 5.5639 13.7009 4.82247 9.18691 numMergedOcc 0
11 mol 143 unq 1 iso 0 dist 9.32503 6.15159 5.5639 11.447 4.7023 8.90592 numMergedOcc 0
12 mol 143 unq 2 iso 0 dist 8.58421 5.80488 5.5639 9.46039 4.82247 9.18691 numMergedOcc 0
13 mol 143 unq 3 iso 0 dist 8.58421 5.80488 5.5639 12.1128 4.7023 8.90592 numMergedOcc 0
14 mol 185 unq 0 iso 0 dist 6.70069 4.53126 8.78799 11.077 9.38494 8.94984 numMergedOcc 0
15 mol 185 unq 1 iso 0 dist 9.52532 9.27932 8.78799 16.2737 9.38494 8.94984 numMergedOcc 0
16 mol 206 unq 0 iso 0 dist 6.38964 10.3584 9.62822 10.7989 4.91317 9.19263 numMergedOcc 0
17 mol 214 unq 0 iso 0 dist 9.05875 7.65735 7.06087 13.7567 13.2303 8.47248 numMergedOcc 0
18 mol 218 unq 0 iso 0 dist 6.02521 4.94196 6.48765 10.1349 8.50846 9.88212 numMergedOcc 0
19 mol 219 unq 0 iso 0 dist 8.15287 5.0241 7.68645 8.55971 14.322 9.68515 numMergedOcc 0
20 mol 219 unq 1 iso 0 dist 8.15287 5.0241 7.68645 7.26376 5.39853 8.09769 numMergedOcc 0
21 mol 219 unq 2 iso 0 dist 8.15287 5.0241 7.68645 11.2519 10.9192 6.75833 numMergedOcc 0
22 mol 219 unq 3 iso 0 dist 8.15287 4.36122 5.75017 7.26376 5.39853 7.24832 numMergedOcc 0
23 mol 219 unq 4 iso 0 dist 8.72341 14.1934 7.68645 22.4256 14.322 9.68515 numMergedOcc 0
24 mol 219 unq 5 iso 0 dist 8.72341 14.1934 7.68645 13.5635 5.39853 8.09769 numMergedOcc 0
25 mol 219 unq 6 iso 0 dist 8.72341 14.1934 7.68645 15.0263 10.9192 6.75833 numMergedOcc 0
26 mol 219 unq 7 iso 0 dist 8.72341 13.288 5.75017 13.5635 5.39853 7.24832 numMergedOcc 0
27 mol 276 unq 0 iso 0 dist 6.11207 10.8564 8.75833 9.5388 4.22314 8.95876 numMergedOcc 0
