0 mol 7 unq 0 iso 0 dist 7.21217 6.09254 7.10621 9.80599 5.44992 5.72491 9.17096 7.31201 10.789 9.55056 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.21217 6.09254 7.10621 9.80599 5.44992 5.72491 12.4418 9.36807 10.515 7.45262 numMergedOcc 0
2 mol 16 unq 0 iso 0 dist 5.84479 6.53177 7.63133 11.5401 10.454 6.56335 13.18 13.0191 6.73355 7.40724 numMergedOcc 0
3 mol 16 unq 1 iso 0 dist 8.67719 6.53177 5.46498 11.5401 6.70071 6.56335 13.18 8.41862 6.73355 7.40724 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 5.78238 5.97304 6.60423 8.08994 12.4274 5.39241 8.62284 numMergedOcc 0
5 mol 94 unq 0 iso 0 dist 9.33801 5.81332 7.89459 11.0642 5.60279 9.97569 13.6509 10.3578 11.997 5.18655 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 6.85381 12.5148 9.60462 18.7293 17.3924 9.92283 18.572 17.7547 8.57646 7.82011 numMergedOcc 0
7 mol 227 unq 0 iso 0 dist 9.17826 14.9329 7.22101 13.4281 11.0628 8.38865 16.3208 12.9493 9.60993 9.20589 numMergedOcc 0
8 mol 227 unq 1 iso 0 dist 9.17826 14.9329 7.22101 13.4281 11.0628 8.38865 9.63564 12.3856 13.3557 7.89801 numMergedOcc 0
9 mol 227 unq 2 iso 0 dist 9.17826 13.2783 8.65997 13.4281 11.0628 5.4694 16.3208 12.9493 5.34702 9.20589 numMergedOcc 0
10 mol 227 unq 3 iso 0 dist 9.17826 13.2783 8.65997 13.4281 11.0628 5.4694 9.63564 12.3856 8.8709 7.89801 numMergedOcc 0
11 mol 227 unq 4 iso 0 dist 9.64299 7.69739 7.09863 14.0932 12.9587 8.38865 16.418 15.4174 9.60993 9.20589 numMergedOcc 0
12 mol 227 unq 5 iso 0 dist 9.64299 7.69739 7.09863 14.0932 12.9587 8.38865 20.5605 16.1617 13.3557 7.89801 numMergedOcc 0
13 mol 238 unq 0 iso 0 dist 5.24313 12.1448 7.31233 10.6502 7.83352 5.64181 6.03021 6.55759 10.4664 8.6597 numMergedOcc 0
14 mol 238 unq 1 iso 0 dist 5.24313 12.1448 7.31233 10.6502 7.83352 5.64181 5.27451 7.02475 11.2717 7.47235 numMergedOcc 0
15 mol 238 unq 2 iso 0 dist 5.24313 12.1448 7.31233 10.6502 7.83352 5.64181 11.3884 7.19008 5.17471 6.44735 numMergedOcc 0
16 mol 238 unq 3 iso 0 dist 5.24313 12.1448 7.31233 10.6502 7.83352 5.64181 15.5313 11.3465 5.03393 5.91208 numMergedOcc 0
17 mol 248 unq 0 iso 0 dist 7.66519 6.42363 9.56569 7.21518 6.71566 6.77954 11.2533 13.4601 5.59351 8.42446 numMergedOcc 0
18 mol 248 unq 1 iso 0 dist 8.71859 4.53213 7.69895 8.46518 5.99459 6.17052 4.11367 6.07192 6.48757 8.53148 numMergedOcc 0
19 mol 248 unq 2 iso 0 dist 8.71859 6.33032 7.21521 8.46518 5.99459 9.77666 4.11367 6.07192 5.51827 8.53148 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 9.58006 11.8501 7.46176 11.5672 5.60748 8.55558 15.1483 7.48005 5.79468 6.39918 numMergedOcc 0
21 mol 272 unq 0 iso 0 dist 9.1118 11.082 9.97651 5.7564 4.86504 9.64269 11.0654 6.16449 4.72202 7.55161 numMergedOcc 0
22 mol 272 unq 1 iso 0 dist 9.1118 6.72149 8.46116 5.7564 4.86504 8.46061 11.0654 6.16449 8.52877 7.55161 numMergedOcc 0
23 mol 272 unq 2 iso 0 dist 6.94346 9.58279 8.33638 14.5853 8.7909 8.46061 14.4079 10.1966 8.52877 7.55161 numMergedOcc 0
