0 mol 33 unq 0 iso 0 dist 7.14232 6.11016 7.63209 5.53815 10.9916 9.398 numMergedOcc 0
1 mol 35 unq 0 iso 0 dist 9.466 5.55901 4.08654 11.0391 9.8985 9.03313 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 8.38387 9.52295 6.09486 4.66789 10.9455 9.36759 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 8.38387 9.52295 6.09486 9.8284 10.2065 5.0553 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 8.04256 6.59983 13.8724 5.00567 6.87176 8.02624 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 8.04256 9.92579 15.9935 5.00567 6.87176 9.63119 numMergedOcc 0
6 mol 78 unq 0 iso 0 dist 9.23023 9.739 5.40759 5.00649 9.99029 7.85668 numMergedOcc 0
7 mol 91 unq 0 iso 0 dist 8.86252 8.6176 7.03963 6.16048 10.7413 6.29207 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.82535 6.29634 7.64945 10.5389 12.0237 7.43445 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 6.18763 6.29634 7.36889 10.5389 9.85387 7.43445 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 8.44385 6.29634 4.55137 10.5389 11.4157 7.43445 numMergedOcc 0
11 mol 119 unq 3 iso 0 dist 5.63005 6.29634 6.42493 10.5389 13.2459 7.43445 numMergedOcc 0
12 mol 127 unq 0 iso 0 dist 9.42513 9.91321 12.4721 5.88232 8.62711 7.34368 numMergedOcc 0
13 mol 132 unq 0 iso 0 dist 8.25314 8.31873 4.29956 7.68244 12.118 9.11314 numMergedOcc 0
14 mol 133 unq 0 iso 0 dist 9.50322 6.31523 10.7358 14.5514 18.9039 9.58868 numMergedOcc 0
15 mol 133 unq 1 iso 0 dist 5.82404 6.31523 5.58281 14.5514 15.1126 9.58868 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 8.07256 9.06801 5.97115 4.62126 11.0227 9.87656 numMergedOcc 0
17 mol 152 unq 1 iso 0 dist 8.07256 9.06801 5.97115 8.90456 10.2576 5.35463 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 9.97921 8.99034 5.05715 12.2516 9.89142 7.80955 numMergedOcc 0
19 mol 162 unq 1 iso 0 dist 9.97921 8.99034 5.05715 5.55488 10.282 6.66396 numMergedOcc 0
20 mol 167 unq 0 iso 0 dist 5.59806 6.00793 6.38496 5.30254 7.83781 7.78684 numMergedOcc 0
21 mol 175 unq 0 iso 0 dist 8.58906 9.52193 3.98983 6.623 10.6016 9.11753 numMergedOcc 0
22 mol 206 unq 0 iso 0 dist 9.78438 6.38964 6.13816 5.59897 7.0119 5.99766 numMergedOcc 0
23 mol 265 unq 0 iso 0 dist 9.772 6.21022 12.0749 9.91968 7.54805 9.05568 numMergedOcc 0
24 mol 265 unq 1 iso 0 dist 9.772 6.21022 12.0749 4.47698 13.929 7.29987 numMergedOcc 0
25 mol 266 unq 0 iso 0 dist 8.12852 7.50074 12.6608 14.1041 21.2676 9.27812 numMergedOcc 0
26 mol 292 unq 0 iso 0 dist 7.53641 8.25719 9.6563 6.36882 12.6743 8.73473 numMergedOcc 0
