0 mol 27 unq 0 iso 0 dist 9.48375 8.73916 11.0337 9.62305 15.4799 15.0516 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 9.48375 5.66337 8.81543 9.62305 15.4799 15.0929 numMergedOcc 0
2 mol 27 unq 2 iso 0 dist 6.85127 8.73916 5.59799 9.62305 14.1714 15.0516 numMergedOcc 0
3 mol 27 unq 3 iso 0 dist 6.85127 5.66337 5.08283 9.62305 14.1714 15.0929 numMergedOcc 0
4 mol 27 unq 4 iso 0 dist 8.58169 8.73916 4.69455 9.62305 12.3417 15.0516 numMergedOcc 0
5 mol 27 unq 5 iso 0 dist 8.58169 5.66337 9.31045 9.62305 12.3417 15.0929 numMergedOcc 0
6 mol 124 unq 0 iso 0 dist 6.31232 7.3864 6.14262 7.87439 10.5562 9.25831 numMergedOcc 0
7 mol 124 unq 1 iso 0 dist 6.79597 7.18643 9.59067 4.89099 5.16528 6.09415 numMergedOcc 0
8 mol 124 unq 2 iso 0 dist 7.17224 7.3864 8.25721 7.87439 5.16528 9.25831 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 8.95717 8.98949 10.4812 8.78173 4.43386 6.66108 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 7.14447 8.58873 8.91031 8.2746 8.17517 6.2716 numMergedOcc 0
11 mol 133 unq 0 iso 0 dist 4.46578 6.53862 8.13581 8.1716 6.95294 5.28979 numMergedOcc 0
12 mol 168 unq 0 iso 0 dist 9.58783 9.6856 17.0492 8.75994 11.6512 14.9734 numMergedOcc 0
13 mol 168 unq 1 iso 0 dist 9.58783 9.6856 17.0492 6.80155 14.1838 7.08042 numMergedOcc 0
14 mol 184 unq 0 iso 0 dist 9.0757 7.73442 15.8237 5.87728 12.848 4.3503 numMergedOcc 0
15 mol 184 unq 1 iso 0 dist 9.0757 7.73442 15.8237 6.71538 6.36605 12.4659 numMergedOcc 0
16 mol 184 unq 2 iso 0 dist 9.0757 7.73442 15.8237 8.58856 8.2618 11.027 numMergedOcc 0
17 mol 226 unq 0 iso 0 dist 7.6174 9.82101 12.0828 5.61473 7.32691 10.2827 numMergedOcc 0
18 mol 238 unq 0 iso 0 dist 7.00773 6.9659 4.91848 6.54661 5.32456 5.2394 numMergedOcc 0
19 mol 238 unq 1 iso 0 dist 7.00773 6.9659 4.91848 8.97261 6.26991 10.0814 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 7.19924 6.55222 6.18958 9.03093 10.9858 4.81796 numMergedOcc 0
21 mol 260 unq 0 iso 0 dist 9.94532 7.68243 5.7487 6.57783 8.59973 10.1534 numMergedOcc 0
22 mol 260 unq 1 iso 0 dist 9.94532 7.68243 5.7487 6.18853 11.1345 10.0222 numMergedOcc 0
23 mol 260 unq 2 iso 0 dist 9.94532 7.68243 5.7487 9.39891 5.0414 5.6778 numMergedOcc 0
24 mol 272 unq 0 iso 0 dist 8.89938 4.87063 4.73458 5.84116 8.14394 4.62994 numMergedOcc 0
25 mol 272 unq 1 iso 0 dist 8.89938 8.56255 6.70161 5.84116 8.14394 8.33485 numMergedOcc 0
26 mol 276 unq 0 iso 0 dist 8.0652 8.63212 14.6731 7.3327 14.3341 6.17923 numMergedOcc 0
