0 mol 59 unq 0 iso 0 dist 5.41134 6.65344 6.34748 10.4897 10.5678 6.71911 numMergedOcc 0
1 mol 59 unq 1 iso 0 dist 8.61357 9.59244 7.43198 4.07863 8.10708 6.23899 numMergedOcc 0
2 mol 59 unq 2 iso 0 dist 9.23605 6.65344 13.0793 10.4897 15.449 6.71911 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 5.73908 7.51075 13.0823 3.89794 8.18002 7.96497 numMergedOcc 0
4 mol 68 unq 1 iso 0 dist 6.77421 7.51075 5.31976 3.89794 9.01261 7.96497 numMergedOcc 0
5 mol 73 unq 0 iso 0 dist 8.09675 8.67532 6.97502 13.4661 13.2294 7.13087 numMergedOcc 0
6 mol 74 unq 0 iso 0 dist 9.09394 9.99155 13.9169 3.94075 11.072 8.96501 numMergedOcc 0
7 mol 75 unq 0 iso 0 dist 5.01633 6.95595 5.56574 8.91765 8.26819 5.15851 numMergedOcc 0
8 mol 86 unq 0 iso 0 dist 8.32885 8.88225 6.51657 14.1743 13.6852 7.79359 numMergedOcc 0
9 mol 86 unq 1 iso 0 dist 9.14653 9.49308 6.51657 12.091 13.6852 7.79359 numMergedOcc 0
10 mol 88 unq 0 iso 0 dist 5.74637 7.74197 13.1838 10.0278 15.1128 8.66514 numMergedOcc 0
11 mol 88 unq 1 iso 0 dist 5.74637 7.74197 13.1838 8.37153 13.0642 9.25235 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 9.02302 8.69069 5.76815 4.41983 10.5512 8.67367 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 4.69402 5.86531 6.25005 5.80615 9.63985 7.92688 numMergedOcc 0
14 mol 187 unq 0 iso 0 dist 5.82577 9.36086 4.98423 5.94354 7.9625 9.27478 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 7.97183 5.96555 4.25942 12.5517 13.0315 9.19704 numMergedOcc 0
16 mol 213 unq 0 iso 0 dist 8.72285 7.88794 7.38 4.23514 10.6552 6.68292 numMergedOcc 0
17 mol 213 unq 1 iso 0 dist 8.72285 7.88794 7.38 6.58235 10.1199 4.26212 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 8.65468 7.16386 9.18673 3.90017 10.8855 7.61951 numMergedOcc 0
19 mol 234 unq 0 iso 0 dist 9.24066 7.46434 7.87385 4.21173 11.004 6.16063 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 9.29888 9.13537 9.76195 6.16476 11.1838 5.38637 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 6.70414 9.29635 5.77904 13.8592 11.7564 9.41725 numMergedOcc 0
22 mol 293 unq 0 iso 0 dist 6.97887 9.55282 5.67215 4.37303 5.88449 9.47908 numMergedOcc 0
23 mol 293 unq 1 iso 0 dist 6.97887 9.55282 5.67215 11.0749 7.2668 9.97212 numMergedOcc 0
24 mol 293 unq 2 iso 0 dist 6.97887 6.27435 11.4201 4.37303 5.88449 8.56847 numMergedOcc 0
25 mol 293 unq 3 iso 0 dist 4.66962 9.55282 8.36783 4.37303 7.44889 9.47908 numMergedOcc 0
26 mol 293 unq 4 iso 0 dist 4.66962 9.55282 8.36783 11.0749 12.45 9.97212 numMergedOcc 0
27 mol 293 unq 5 iso 0 dist 4.66962 6.27435 9.51167 4.37303 7.44889 8.56847 numMergedOcc 0
28 mol 293 unq 6 iso 0 dist 6.04186 9.55282 6.91752 4.37303 5.50284 9.47908 numMergedOcc 0
29 mol 293 unq 7 iso 0 dist 6.04186 9.55282 6.91752 11.0749 8.88355 9.97212 numMergedOcc 0
30 mol 293 unq 8 iso 0 dist 6.04186 6.27435 5.66805 4.37303 5.50284 8.56847 numMergedOcc 0
