0 mol 30 unq 0 iso 0 dist 7.2159 8.51496 11.8568 5.80534 5.09775 8.7139 numMergedOcc 0
1 mol 30 unq 1 iso 0 dist 8.93093 8.51496 5.39161 5.80534 5.46756 8.7139 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 9.98353 9.27409 9.23733 8.79378 11.8315 6.67753 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 8.69443 7.69638 13.4649 4.90216 12.2061 3.68327 numMergedOcc 0
4 mol 59 unq 1 iso 0 dist 8.69443 7.69638 13.4649 9.84217 11.2603 9.13939 numMergedOcc 0
5 mol 78 unq 0 iso 0 dist 6.02034 9.4486 13.0908 8.48827 13.1307 4.35598 numMergedOcc 0
6 mol 78 unq 1 iso 0 dist 6.02034 9.4486 13.0908 7.14048 10.7383 5.50339 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 6.59382 5.59552 4.7483 6.04223 7.41773 6.882 numMergedOcc 0
8 mol 92 unq 1 iso 0 dist 9.99537 6.37888 7.27534 5.48163 4.69684 3.98877 numMergedOcc 0
9 mol 93 unq 0 iso 0 dist 7.62629 7.4518 10.9752 5.10693 7.08249 4.34681 numMergedOcc 0
10 mol 93 unq 1 iso 0 dist 7.62629 7.4518 10.9752 6.58814 8.37319 5.73248 numMergedOcc 0
11 mol 93 unq 2 iso 0 dist 7.62629 7.4518 10.9752 6.13459 9.47729 13.5809 numMergedOcc 0
12 mol 93 unq 3 iso 0 dist 7.62629 7.4518 10.9752 7.54391 8.88832 14.149 numMergedOcc 0
13 mol 93 unq 4 iso 0 dist 7.62629 9.1687 10.2765 5.10693 7.08249 9.11796 numMergedOcc 0
14 mol 93 unq 5 iso 0 dist 7.62629 9.1687 10.2765 6.58814 8.37319 7.24672 numMergedOcc 0
15 mol 93 unq 6 iso 0 dist 7.62629 9.1687 10.2765 6.13459 9.47729 10.6039 numMergedOcc 0
16 mol 93 unq 7 iso 0 dist 7.62629 9.1687 10.2765 7.54391 8.88832 6.48338 numMergedOcc 0
17 mol 109 unq 0 iso 0 dist 9.79844 8.48774 6.14126 6.3323 5.26527 4.0719 numMergedOcc 0
18 mol 133 unq 0 iso 0 dist 6.23615 6.72323 4.7146 8.52036 11.2135 12.7291 numMergedOcc 0
19 mol 147 unq 0 iso 0 dist 6.00651 9.41073 12.6092 8.76449 6.99467 10.1443 numMergedOcc 0
20 mol 147 unq 1 iso 0 dist 6.00651 9.41073 12.6092 8.36182 4.53687 11.2502 numMergedOcc 0
21 mol 147 unq 2 iso 0 dist 8.52428 9.41073 7.24469 8.76449 10.4515 10.1443 numMergedOcc 0
22 mol 147 unq 3 iso 0 dist 8.52428 9.41073 7.24469 8.36182 9.02691 11.2502 numMergedOcc 0
23 mol 148 unq 0 iso 0 dist 6.60739 9.80819 12.193 6.81449 3.56704 10.5863 numMergedOcc 0
24 mol 148 unq 1 iso 0 dist 9.22427 9.80819 14.6053 6.81449 5.6048 10.5863 numMergedOcc 0
25 mol 148 unq 2 iso 0 dist 5.55129 9.80819 11.2269 6.81449 8.33576 10.5863 numMergedOcc 0
26 mol 150 unq 0 iso 0 dist 6.71763 9.81665 12.1772 6.87593 3.56413 10.5688 numMergedOcc 0
27 mol 150 unq 1 iso 0 dist 9.32504 9.81665 14.5231 6.87593 5.53516 10.5688 numMergedOcc 0
28 mol 150 unq 2 iso 0 dist 5.53778 9.81665 11.1674 6.87593 8.23832 10.5688 numMergedOcc 0
29 mol 204 unq 0 iso 0 dist 5.67196 8.62191 6.08392 8.29256 3.72258 9.07662 numMergedOcc 0
30 mol 204 unq 1 iso 0 dist 5.67196 8.62191 6.08392 7.8274 7.27203 7.37577 numMergedOcc 0
31 mol 257 unq 0 iso 0 dist 8.9297 8.4302 11.0338 9.82105 14.4499 3.96862 numMergedOcc 0
32 mol 270 unq 0 iso 0 dist 6.72681 8.50042 4.53766 8.76202 3.53146 6.72549 numMergedOcc 0
33 mol 274 unq 0 iso 0 dist 8.26851 9.11072 16.1916 9.82713 13.8247 8.87313 numMergedOcc 0
34 mol 274 unq 1 iso 0 dist 8.26851 6.83113 10.6481 9.82713 13.8247 6.97575 numMergedOcc 0
35 mol 274 unq 2 iso 0 dist 8.26851 9.44134 16.3797 9.82713 13.8247 9.92055 numMergedOcc 0
36 mol 274 unq 3 iso 0 dist 8.14634 9.11072 14.7933 9.82713 9.90818 8.87313 numMergedOcc 0
37 mol 274 unq 4 iso 0 dist 8.14634 6.83113 7.09841 9.82713 9.90818 6.97575 numMergedOcc 0
38 mol 274 unq 5 iso 0 dist 8.14634 9.44134 13.8495 9.82713 9.90818 9.92055 numMergedOcc 0
39 mol 278 unq 0 iso 0 dist 6.97456 6.81257 5.39083 9.93392 12.1009 6.89604 numMergedOcc 0
