0 mol 26 unq 0 iso 0 dist 6.88695 9.97117 7.23546 9.63803 8.25132 14.2987 numMergedOcc 0
1 mol 44 unq 0 iso 0 dist 9.96265 7.23261 5.87283 7.61923 6.16718 6.22238 numMergedOcc 0
2 mol 44 unq 1 iso 0 dist 9.96265 6.20069 10.6223 7.61923 6.16718 11.2741 numMergedOcc 0
3 mol 44 unq 2 iso 0 dist 9.70459 8.96501 5.87283 5.11941 6.16718 6.22238 numMergedOcc 0
4 mol 44 unq 3 iso 0 dist 7.78905 9.4798 5.87283 5.84744 6.16718 6.22238 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 7.20538 7.23914 6.28202 7.93171 9.96534 11.1507 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 6.48328 5.58063 4.51489 8.42219 8.14031 5.65471 numMergedOcc 0
7 mol 117 unq 0 iso 0 dist 6.90827 9.58171 4.91401 6.78655 3.55765 5.56883 numMergedOcc 0
8 mol 131 unq 0 iso 0 dist 6.31125 9.90096 6.19596 9.10434 3.98662 9.23774 numMergedOcc 0
9 mol 155 unq 0 iso 0 dist 4.44292 7.62575 5.40375 7.25009 7.10286 4.48516 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 8.96988 9.08641 6.97485 9.18289 13.0315 15.9963 numMergedOcc 0
11 mol 186 unq 1 iso 0 dist 8.96988 9.08641 6.97485 6.52441 10.6555 9.76884 numMergedOcc 0
12 mol 186 unq 2 iso 0 dist 8.96988 9.08641 6.97485 6.26168 5.75483 6.00734 numMergedOcc 0
13 mol 206 unq 0 iso 0 dist 9.78438 9.91294 4.8585 8.79378 7.89575 3.99908 numMergedOcc 0
14 mol 219 unq 0 iso 0 dist 4.87446 7.15624 4.52622 9.74779 8.8527 6.92627 numMergedOcc 0
15 mol 219 unq 1 iso 0 dist 7.49235 7.15624 5.13707 9.74779 11.4193 6.92627 numMergedOcc 0
16 mol 222 unq 0 iso 0 dist 7.85877 7.35476 12.2813 8.86886 8.34852 13.6834 numMergedOcc 0
17 mol 227 unq 0 iso 0 dist 9.07872 8.82471 16.8875 7.90991 13.2135 12.1785 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 8.59074 9.46582 13.7993 8.56975 7.06793 9.75095 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 8.59074 9.77231 13.069 8.56975 7.06793 11.7938 numMergedOcc 0
20 mol 244 unq 0 iso 0 dist 7.65388 9.7208 13.8674 9.11416 6.89444 11.0771 numMergedOcc 0
21 mol 259 unq 0 iso 0 dist 9.12507 8.46351 5.32839 4.95855 7.09907 4.61451 numMergedOcc 0
22 mol 259 unq 1 iso 0 dist 9.12507 8.46351 5.32839 7.72489 9.71793 5.56602 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 6.55855 8.62431 14.168 4.97796 8.87855 5.70568 numMergedOcc 0
24 mol 274 unq 1 iso 0 dist 9.52894 8.62431 17.7203 4.97796 13.0867 5.70568 numMergedOcc 0
