0 mol 7 unq 0 iso 0 dist 8.23909 13.823 9.60499 13.7145 6.02702 8.43473 13.1861 6.58469 14.3576 8.60435 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 6.72215 5.38502 9.60499 6.11915 6.02702 8.43473 9.54727 6.58469 14.3576 8.60435 numMergedOcc 0
2 mol 8 unq 0 iso 0 dist 7.45487 5.43751 9.62879 7.07501 7.18019 4.36226 12.4302 7.17012 11.2076 7.27018 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 9.90845 9.59761 8.86116 14.9821 8.60554 8.52463 19.3036 11.2106 13.0257 4.90592 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 9.90845 9.59761 8.86116 14.9821 8.60554 8.52463 5.78238 5.97304 6.60423 9.36461 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 9.90845 9.59761 8.86116 18.8056 9.44691 13.4893 19.3036 11.2106 13.0257 8.16324 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 9.90845 9.89489 8.38394 14.9821 8.60554 12.3994 19.3036 11.2106 15.7639 4.90592 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 9.90845 9.89489 8.38394 14.9821 8.60554 12.3994 5.78238 5.97304 9.0934 9.36461 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 9.90845 9.89489 8.38394 18.8056 9.44691 12.505 19.3036 11.2106 15.7639 8.16324 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 6.89722 10.4716 9.96396 11.5412 9.24757 5.11416 13.0088 8.26458 7.04044 6.48232 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 6.89722 5.2774 6.19304 11.5412 9.24757 6.56633 13.0088 8.26458 8.73253 6.48232 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 6.89722 13.9156 8.70481 11.5412 9.24757 15.3808 13.0088 8.26458 10.3244 6.48232 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 7.26679 8.31041 9.96396 11.2253 9.24757 5.11416 10.5067 8.26458 7.04044 6.48232 numMergedOcc 0
13 mol 73 unq 4 iso 0 dist 7.26679 5.44275 6.19304 11.2253 9.24757 6.56633 10.5067 8.26458 8.73253 6.48232 numMergedOcc 0
14 mol 73 unq 5 iso 0 dist 7.26679 11.2674 8.70481 11.2253 9.24757 15.3808 10.5067 8.26458 10.3244 6.48232 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 8.42445 7.18757 7.5732 12.5697 6.84011 7.436 19.419 11.177 15.5985 9.17466 numMergedOcc 0
16 mol 119 unq 0 iso 0 dist 6.49205 5.19198 6.18601 6.25204 8.00003 10.4376 9.09364 5.75886 9.66471 7.12072 numMergedOcc 0
17 mol 119 unq 1 iso 0 dist 9.42766 14.0677 8.73993 13.1831 6.52773 7.20179 10.1832 3.78311 7.77116 8.8562 numMergedOcc 0
18 mol 119 unq 2 iso 0 dist 9.42766 14.0677 8.73993 6.34278 9.23858 9.89358 10.1832 3.78311 7.77116 7.91683 numMergedOcc 0
19 mol 126 unq 0 iso 0 dist 9.06961 9.07346 6.06638 4.43093 6.30546 6.0268 8.8359 5.5703 9.46588 5.94233 numMergedOcc 0
20 mol 130 unq 0 iso 0 dist 7.83619 10.0837 9.28393 7.91054 7.96646 6.73735 16.7453 14.206 13.2004 9.13191 numMergedOcc 0
21 mol 130 unq 1 iso 0 dist 9.91643 7.40242 9.28393 11.6197 7.96646 6.73735 14.8448 14.206 13.2004 9.13191 numMergedOcc 0
22 mol 131 unq 0 iso 0 dist 8.97145 14.257 6.85062 4.17212 8.70296 14.2045 9.77097 7.73656 13.311 6.48674 numMergedOcc 0
23 mol 131 unq 1 iso 0 dist 6.5874 7.60371 6.85062 9.64263 8.70296 14.2045 12.3744 7.73656 13.311 6.48674 numMergedOcc 0
24 mol 175 unq 0 iso 0 dist 9.00898 5.96451 9.29945 10.5222 9.39352 7.27408 5.32236 4.24624 8.0154 9.71028 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 9.8711 4.90657 9.23153 4.39102 6.59716 7.11498 6.50846 6.17628 5.45036 5.37796 numMergedOcc 0
26 mol 222 unq 0 iso 0 dist 8.7347 8.81265 6.00706 15.9714 9.07471 7.75466 12.5498 6.42798 7.862 9.08955 numMergedOcc 0
27 mol 222 unq 1 iso 0 dist 8.7347 4.28891 7.54212 15.9714 9.07471 13.3447 12.5498 6.42798 12.5287 9.08955 numMergedOcc 0
28 mol 248 unq 0 iso 0 dist 7.66519 6.42363 9.56569 5.81577 7.16525 4.30004 7.21518 6.71566 6.77954 7.97135 numMergedOcc 0
29 mol 278 unq 0 iso 0 dist 9.82774 10.5903 8.44326 11.9007 8.00673 4.97614 11.8926 6.54009 10.8604 7.21972 numMergedOcc 0
