0 mol 9 unq 0 iso 0 dist 8.57077 6.85412 8.27962 5.60154 8.47421 9.29529 5.84314 5.8245 9.71516 3.91075 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.57077 6.33889 11.4878 5.60154 8.47421 7.2199 5.84314 5.8245 9.81658 3.91075 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.34347 6.73162 7.23546 11.887 9.16962 15.0652 7.11305 14.8317 9.96121 18.7926 numMergedOcc 0
3 mol 26 unq 1 iso 0 dist 8.34347 9.16962 11.887 7.23546 6.73162 15.0652 8.25132 13.6027 5.84066 14.2987 numMergedOcc 0
4 mol 45 unq 0 iso 0 dist 7.58835 9.20119 6.89191 5.67689 6.34173 8.59109 12.466 12.457 5.81001 11.9463 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 7.32874 8.26899 4.55117 6.75888 6.40841 8.80108 6.20618 9.97819 7.60018 10.7257 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 7.32874 8.26899 4.55117 6.75888 6.40841 8.80108 5.61579 8.69057 7.03126 11.0945 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 9.55426 8.26899 10.3782 13.1021 9.73139 12.8396 6.20618 14.4477 7.60018 15.9441 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 9.55426 8.26899 10.3782 13.1021 9.73139 12.8396 5.61579 13.1897 7.03126 16.9237 numMergedOcc 0
9 mol 58 unq 4 iso 0 dist 9.55426 8.26899 10.3782 6.75888 6.31428 8.80108 6.20618 14.4477 7.60018 10.7257 numMergedOcc 0
10 mol 58 unq 5 iso 0 dist 9.55426 8.26899 10.3782 6.75888 6.31428 8.80108 5.61579 13.1897 7.03126 11.0945 numMergedOcc 0
11 mol 72 unq 0 iso 0 dist 9.96708 6.77912 7.11552 9.0131 7.321 9.19459 10.0679 10.7102 9.37102 5.11318 numMergedOcc 0
12 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 9.0131 7.321 9.19459 5.69391 9.55118 5.4605 6.74416 numMergedOcc 0
13 mol 72 unq 2 iso 0 dist 9.96708 6.77912 7.11552 9.0131 7.321 9.19459 4.03844 12.111 6.53824 10.7904 numMergedOcc 0
14 mol 72 unq 3 iso 0 dist 9.96708 7.321 9.0131 7.11552 6.77912 9.19459 7.47371 7.12321 9.14817 9.88768 numMergedOcc 0
15 mol 72 unq 4 iso 0 dist 9.96708 7.321 9.0131 7.11552 6.77912 9.19459 9.67587 9.35457 9.76686 12.9007 numMergedOcc 0
16 mol 72 unq 5 iso 0 dist 9.96708 7.321 9.0131 7.11552 6.77912 9.19459 7.07356 12.1131 9.437 12.9235 numMergedOcc 0
17 mol 72 unq 6 iso 0 dist 9.78528 7.321 6.11922 11.6894 9.02278 13.4823 7.47371 6.21799 9.14817 5.5067 numMergedOcc 0
18 mol 72 unq 7 iso 0 dist 9.78528 7.321 6.11922 11.6894 9.02278 13.4823 9.67587 5.03251 9.76686 4.01021 numMergedOcc 0
19 mol 72 unq 8 iso 0 dist 9.78528 7.321 6.11922 11.6894 9.02278 13.4823 7.07356 7.66093 9.437 6.40102 numMergedOcc 0
20 mol 115 unq 0 iso 0 dist 9.33865 7.64585 10.2377 10.7942 7.76729 6.40036 6.95773 6.24825 7.65255 5.78043 numMergedOcc 0
21 mol 115 unq 1 iso 0 dist 9.33865 7.76729 10.7942 6.09023 9.66954 12.4065 6.63111 6.39384 8.0168 6.49835 numMergedOcc 0
22 mol 115 unq 2 iso 0 dist 9.33865 7.76729 10.7942 10.2377 7.64585 6.40036 6.63111 6.39384 8.0168 5.65471 numMergedOcc 0
23 mol 115 unq 3 iso 0 dist 5.83991 7.76729 10.9739 6.09023 8.66155 12.4065 6.63111 9.42082 8.0168 6.49835 numMergedOcc 0
24 mol 115 unq 4 iso 0 dist 6.11741 7.64585 10.8939 10.8292 6.99777 17.3282 6.95773 10.0255 7.65255 15.7303 numMergedOcc 0
25 mol 115 unq 5 iso 0 dist 6.11741 7.64585 10.8939 6.12943 9.14376 12.1188 6.95773 10.0255 7.65255 6.70178 numMergedOcc 0
26 mol 155 unq 0 iso 0 dist 6.43582 9.38946 12.8482 12.1814 9.14392 18.2998 4.91785 8.97626 7.29911 12.0485 numMergedOcc 0
27 mol 155 unq 1 iso 0 dist 6.43582 9.38946 12.8482 6.34186 7.51198 11.3251 4.91785 8.97626 7.29911 4.48516 numMergedOcc 0
28 mol 155 unq 2 iso 0 dist 6.43582 7.36102 8.27726 12.1814 9.14392 13.2154 4.91785 8.97626 5.36254 12.0485 numMergedOcc 0
29 mol 155 unq 3 iso 0 dist 6.43582 7.36102 8.27726 6.34186 7.51198 7.37901 4.91785 8.97626 5.36254 4.48516 numMergedOcc 0
30 mol 175 unq 0 iso 0 dist 9.0018 9.31887 11.0415 8.22779 9.8589 4.79852 5.00913 13.6764 9.76114 9.433 numMergedOcc 0
31 mol 175 unq 1 iso 0 dist 7.652 9.31887 5.0384 8.22779 7.24908 4.79852 5.00913 10.1305 9.76114 9.433 numMergedOcc 0
32 mol 181 unq 0 iso 0 dist 7.81386 4.93785 6.7991 9.53462 7.98142 12.2455 6.8757 6.64173 9.09234 4.48306 numMergedOcc 0
33 mol 181 unq 1 iso 0 dist 7.81386 4.93785 6.7991 9.53462 7.98142 12.2455 5.71898 9.01624 6.76746 12.2513 numMergedOcc 0
34 mol 181 unq 2 iso 0 dist 7.81386 4.93785 6.7991 9.53462 7.98142 12.2455 5.83796 9.55105 8.92098 10.2172 numMergedOcc 0
35 mol 181 unq 3 iso 0 dist 7.81386 4.93785 6.7991 11.1462 7.37327 11.691 6.8757 6.64173 9.09234 4.88823 numMergedOcc 0
36 mol 181 unq 4 iso 0 dist 7.81386 4.93785 6.7991 11.1462 7.37327 11.691 5.71898 9.01624 6.76746 14.8923 numMergedOcc 0
37 mol 181 unq 5 iso 0 dist 7.81386 4.93785 6.7991 11.1462 7.37327 11.691 5.83796 9.55105 8.92098 14.2334 numMergedOcc 0
38 mol 214 unq 0 iso 0 dist 8.85478 7.46831 6.67959 8.47007 6.97182 11.7443 11.1534 7.46481 8.70987 11.357 numMergedOcc 0
39 mol 214 unq 1 iso 0 dist 8.85478 7.46831 6.67959 12.8334 6.1175 12.7646 11.1534 7.46481 8.70987 10.9581 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 5.4638 9.58736 9.66021 4.65302 8.21247 11.9287 13.7306 13.8176 7.02029 13.7435 numMergedOcc 0
41 mol 238 unq 0 iso 0 dist 6.57393 5.38637 6.20606 10.9761 6.91569 11.9092 13.378 14.7404 9.38131 18.4688 numMergedOcc 0
42 mol 248 unq 0 iso 0 dist 7.69895 6.07192 6.48757 10.1857 8.50864 13.4404 4.58289 9.05018 5.0345 13.1523 numMergedOcc 0
43 mol 259 unq 0 iso 0 dist 5.30224 8.37865 5.31048 4.99891 6.77938 11.4462 4.04513 8.03219 8.84648 8.90322 numMergedOcc 0
44 mol 259 unq 1 iso 0 dist 5.30224 8.37865 5.31048 4.99891 6.77938 11.4462 7.09907 6.9899 6.23661 9.2872 numMergedOcc 0
45 mol 259 unq 2 iso 0 dist 5.30224 8.37865 5.31048 5.32839 7.76676 9.64797 4.04513 8.03219 8.84648 7.27192 numMergedOcc 0
46 mol 259 unq 3 iso 0 dist 5.30224 8.37865 5.31048 5.32839 7.76676 9.64797 7.09907 6.9899 6.23661 4.61451 numMergedOcc 0
47 mol 282 unq 0 iso 0 dist 8.04483 6.85028 6.3384 10.1236 8.8673 13.4504 4.57104 10.2229 7.52924 11.8455 numMergedOcc 0
48 mol 282 unq 1 iso 0 dist 6.33524 7.32347 6.3384 7.36881 8.8673 13.4504 5.29852 10.2229 7.52924 11.8455 numMergedOcc 0
