0 mol 9 unq 0 iso 0 dist 8.57077 8.47421 5.60154 5.8245 5.84314 3.91075 8.27962 6.85412 9.29529 9.71516 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.57077 8.47421 5.60154 5.8245 5.84314 3.91075 11.4878 6.33889 7.2199 9.81658 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 7.32874 6.40841 6.75888 8.69057 5.61579 11.0945 4.55117 8.26899 8.80108 7.03126 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 7.32874 6.40841 6.75888 8.69057 5.61579 11.0945 13.3401 10.947 16.5169 9.68228 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 8.8178 6.77912 12.0644 7.12321 4.27726 9.88768 9.0131 13.3133 9.19459 9.14817 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 9.96708 6.77912 7.11552 7.12321 7.47371 9.88768 9.0131 7.321 9.19459 9.14817 numMergedOcc 0
6 mol 72 unq 2 iso 0 dist 9.96708 7.321 9.0131 9.55118 5.69391 6.74416 7.11552 6.77912 9.19459 5.4605 numMergedOcc 0
7 mol 72 unq 3 iso 0 dist 9.96708 7.321 9.0131 9.55118 5.69391 6.74416 12.3903 10.4226 11.7653 6.1906 numMergedOcc 0
8 mol 72 unq 4 iso 0 dist 9.96708 7.321 9.0131 9.55118 5.69391 6.74416 7.17489 10.4676 8.59747 6.7272 numMergedOcc 0
9 mol 72 unq 5 iso 0 dist 9.96708 7.321 9.0131 9.10345 13.4212 5.63793 7.17489 10.4676 8.59747 7.64009 numMergedOcc 0
10 mol 72 unq 6 iso 0 dist 9.78528 9.02278 11.6894 6.21799 7.47371 5.5067 6.11922 7.321 13.4823 9.14817 numMergedOcc 0
11 mol 72 unq 7 iso 0 dist 9.78528 9.02278 11.6894 5.03251 9.67587 4.01021 6.11922 7.321 13.4823 9.76686 numMergedOcc 0
12 mol 72 unq 8 iso 0 dist 9.78528 9.02278 11.6894 7.66093 7.07356 6.40102 6.11922 7.321 13.4823 9.437 numMergedOcc 0
13 mol 72 unq 9 iso 0 dist 9.78528 7.321 6.11922 9.55118 9.78221 6.74416 7.11552 11.9814 9.19459 5.4605 numMergedOcc 0
14 mol 72 unq 10 iso 0 dist 9.78528 7.321 6.11922 9.55118 9.78221 6.74416 12.3903 15.7961 11.7653 6.1906 numMergedOcc 0
15 mol 72 unq 11 iso 0 dist 9.78528 7.321 6.11922 9.55118 9.78221 6.74416 7.17489 13.3943 8.59747 6.7272 numMergedOcc 0
16 mol 72 unq 12 iso 0 dist 9.78528 7.321 6.11922 9.10345 11.6634 5.63793 7.17489 13.3943 8.59747 7.64009 numMergedOcc 0
17 mol 115 unq 0 iso 0 dist 7.30858 8.66155 11.3902 9.42082 15.3161 6.49835 10.9739 17.6696 12.4065 8.0168 numMergedOcc 0
18 mol 115 unq 1 iso 0 dist 9.33865 9.66954 6.09023 6.39384 6.63111 6.49835 10.7942 7.76729 12.4065 8.0168 numMergedOcc 0
19 mol 115 unq 2 iso 0 dist 9.33865 7.64585 10.2377 6.39384 6.63111 5.65471 10.7942 7.76729 6.40036 8.0168 numMergedOcc 0
20 mol 115 unq 3 iso 0 dist 9.33865 7.76729 10.7942 6.24825 6.95773 5.78043 10.2377 7.64585 6.40036 7.65255 numMergedOcc 0
21 mol 115 unq 4 iso 0 dist 5.83991 8.66155 6.09023 9.42082 6.63111 6.49835 10.9739 7.76729 12.4065 8.0168 numMergedOcc 0
22 mol 115 unq 5 iso 0 dist 5.83991 7.76729 10.9739 6.24825 6.01673 5.78043 10.2377 12.2309 6.40036 7.65255 numMergedOcc 0
23 mol 115 unq 6 iso 0 dist 6.11741 9.66954 4.61908 6.39384 6.07067 6.49835 10.7942 12.9821 12.4065 8.0168 numMergedOcc 0
24 mol 115 unq 7 iso 0 dist 6.11741 7.64585 10.8939 6.39384 6.07067 5.65471 10.7942 12.9821 6.40036 8.0168 numMergedOcc 0
25 mol 115 unq 8 iso 0 dist 7.88312 8.66155 4.61908 9.42082 6.07067 6.49835 10.9739 12.9821 12.4065 8.0168 numMergedOcc 0
26 mol 155 unq 0 iso 0 dist 7.46303 9.14392 6.3845 8.97626 9.16779 12.0485 12.8482 15.9495 18.2998 7.29911 numMergedOcc 0
27 mol 155 unq 1 iso 0 dist 7.46303 9.14392 6.3845 8.97626 9.16779 12.0485 8.27726 12.1081 13.2154 5.36254 numMergedOcc 0
28 mol 155 unq 2 iso 0 dist 7.46303 7.51198 5.86939 8.97626 9.16779 4.48516 12.8482 15.9495 11.3251 7.29911 numMergedOcc 0
29 mol 155 unq 3 iso 0 dist 7.46303 7.51198 5.86939 8.97626 9.16779 4.48516 8.27726 12.1081 7.37901 5.36254 numMergedOcc 0
30 mol 155 unq 4 iso 0 dist 6.43582 9.14392 12.1814 8.97626 4.91785 12.0485 12.8482 9.38946 18.2998 7.29911 numMergedOcc 0
31 mol 155 unq 5 iso 0 dist 6.43582 9.14392 12.1814 8.97626 4.91785 12.0485 8.27726 7.36102 13.2154 5.36254 numMergedOcc 0
32 mol 155 unq 6 iso 0 dist 6.43582 7.51198 6.34186 8.97626 4.91785 4.48516 12.8482 9.38946 11.3251 7.29911 numMergedOcc 0
33 mol 155 unq 7 iso 0 dist 6.43582 7.51198 6.34186 8.97626 4.91785 4.48516 8.27726 7.36102 7.37901 5.36254 numMergedOcc 0
34 mol 167 unq 0 iso 0 dist 9.87651 8.62646 6.58937 7.20495 7.87971 4.15547 6.36909 15.1367 11.5173 9.1326 numMergedOcc 0
35 mol 167 unq 1 iso 0 dist 9.87651 8.62646 6.58937 7.02548 11.6011 6.24722 6.36909 15.1367 11.5173 7.30954 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 7.81386 7.98142 9.53462 6.64173 6.8757 4.48306 6.7991 4.93785 12.2455 9.09234 numMergedOcc 0
37 mol 181 unq 1 iso 0 dist 7.81386 7.98142 9.53462 9.01624 5.71898 12.2513 6.7991 4.93785 12.2455 6.76746 numMergedOcc 0
38 mol 181 unq 2 iso 0 dist 7.81386 7.98142 9.53462 9.55105 5.83796 10.2172 6.7991 4.93785 12.2455 8.92098 numMergedOcc 0
39 mol 181 unq 3 iso 0 dist 7.81386 7.37327 11.1462 6.64173 6.8757 4.88823 6.7991 4.93785 11.691 9.09234 numMergedOcc 0
40 mol 181 unq 4 iso 0 dist 7.81386 7.37327 11.1462 9.01624 5.71898 14.8923 6.7991 4.93785 11.691 6.76746 numMergedOcc 0
41 mol 181 unq 5 iso 0 dist 7.81386 7.37327 11.1462 9.55105 5.83796 14.2334 6.7991 4.93785 11.691 8.92098 numMergedOcc 0
42 mol 181 unq 6 iso 0 dist 7.63312 7.98142 9.60512 6.64173 10.6474 4.48306 6.7991 10.1232 12.2455 9.09234 numMergedOcc 0
43 mol 181 unq 7 iso 0 dist 7.63312 7.98142 9.60512 9.01624 5.93724 12.2513 6.7991 10.1232 12.2455 6.76746 numMergedOcc 0
44 mol 181 unq 8 iso 0 dist 7.63312 7.98142 9.60512 9.55105 5.12833 10.2172 6.7991 10.1232 12.2455 8.92098 numMergedOcc 0
45 mol 181 unq 9 iso 0 dist 7.63312 7.37327 13.3389 6.64173 10.6474 4.88823 6.7991 10.1232 11.691 9.09234 numMergedOcc 0
46 mol 181 unq 10 iso 0 dist 7.63312 7.37327 13.3389 9.01624 5.93724 14.8923 6.7991 10.1232 11.691 6.76746 numMergedOcc 0
47 mol 181 unq 11 iso 0 dist 7.63312 7.37327 13.3389 9.55105 5.12833 14.2334 6.7991 10.1232 11.691 8.92098 numMergedOcc 0
48 mol 214 unq 0 iso 0 dist 9.65138 6.97182 6.16485 7.46481 11.4955 11.357 6.67959 10.852 11.7443 8.70987 numMergedOcc 0
49 mol 214 unq 1 iso 0 dist 9.65138 6.1175 11.5712 7.46481 11.4955 10.9581 6.67959 10.852 12.7646 8.70987 numMergedOcc 0
50 mol 214 unq 2 iso 0 dist 7.14453 6.97182 5.33565 7.46481 8.459 11.357 6.67959 12.6888 11.7443 8.70987 numMergedOcc 0
51 mol 214 unq 3 iso 0 dist 7.14453 6.1175 5.06792 7.46481 8.459 10.9581 6.67959 12.6888 12.7646 8.70987 numMergedOcc 0
52 mol 214 unq 4 iso 0 dist 8.85478 6.97182 8.47007 7.46481 11.1534 11.357 6.67959 7.46831 11.7443 8.70987 numMergedOcc 0
53 mol 214 unq 5 iso 0 dist 8.85478 6.1175 12.8334 7.46481 11.1534 10.9581 6.67959 7.46831 12.7646 8.70987 numMergedOcc 0
54 mol 234 unq 0 iso 0 dist 9.45496 9.5707 15.9563 7.81215 12.4252 11.8229 5.56749 15.004 8.49841 9.11572 numMergedOcc 0
55 mol 234 unq 1 iso 0 dist 9.45496 9.5707 15.9563 7.81215 12.4252 11.8229 15.015 21.615 13.7038 9.49229 numMergedOcc 0
56 mol 234 unq 2 iso 0 dist 9.45496 9.5707 15.9563 7.81215 12.4252 11.8229 12.1076 17.6567 9.6101 7.20293 numMergedOcc 0
57 mol 234 unq 3 iso 0 dist 9.45496 7.85175 11.216 7.81215 12.4252 10.5304 5.56749 15.004 10.0446 9.11572 numMergedOcc 0
58 mol 234 unq 4 iso 0 dist 9.45496 7.85175 11.216 7.81215 12.4252 10.5304 15.015 21.615 15.6839 9.49229 numMergedOcc 0
59 mol 234 unq 5 iso 0 dist 9.45496 7.85175 11.216 7.81215 12.4252 10.5304 12.1076 17.6567 10.7048 7.20293 numMergedOcc 0
60 mol 234 unq 6 iso 0 dist 6.7625 9.5707 14.4106 7.81215 5.75498 11.8229 5.56749 10.8628 8.49841 9.11572 numMergedOcc 0
61 mol 234 unq 7 iso 0 dist 6.7625 9.5707 14.4106 7.81215 5.75498 11.8229 15.015 15.1691 13.7038 9.49229 numMergedOcc 0
62 mol 234 unq 8 iso 0 dist 6.7625 9.5707 14.4106 7.81215 5.75498 11.8229 12.1076 12.6312 9.6101 7.20293 numMergedOcc 0
63 mol 234 unq 9 iso 0 dist 6.7625 7.85175 11.4315 7.81215 5.75498 10.5304 5.56749 10.8628 10.0446 9.11572 numMergedOcc 0
64 mol 234 unq 10 iso 0 dist 6.7625 7.85175 11.4315 7.81215 5.75498 10.5304 15.015 15.1691 15.6839 9.49229 numMergedOcc 0
65 mol 234 unq 11 iso 0 dist 6.7625 7.85175 11.4315 7.81215 5.75498 10.5304 12.1076 12.6312 10.7048 7.20293 numMergedOcc 0
66 mol 238 unq 0 iso 0 dist 5.72887 9.29858 13.069 9.72188 7.06793 11.7938 15.5674 15.9735 10.9442 9.84652 numMergedOcc 0
67 mol 238 unq 1 iso 0 dist 7.31233 6.55759 10.4664 9.12776 10.3162 15.4844 8.82861 9.38422 11.4385 9.84652 numMergedOcc 0
68 mol 238 unq 2 iso 0 dist 7.31233 7.02475 11.2717 9.12776 10.3162 13.037 8.82861 9.38422 6.65088 9.84652 numMergedOcc 0
69 mol 238 unq 3 iso 0 dist 7.31233 7.67322 12.6986 9.12776 10.3162 9.75095 8.82861 9.38422 6.5772 9.84652 numMergedOcc 0
70 mol 238 unq 4 iso 0 dist 7.31233 7.19008 5.17471 9.12776 10.3162 6.12722 8.82861 9.38422 6.17025 9.84652 numMergedOcc 0
71 mol 248 unq 0 iso 0 dist 7.69895 8.50864 10.1857 9.05018 4.58289 13.1523 6.48757 6.07192 13.4404 5.0345 numMergedOcc 0
72 mol 259 unq 0 iso 0 dist 5.30224 6.77938 4.99891 8.03219 4.04513 8.90322 5.31048 8.37865 11.4462 8.84648 numMergedOcc 0
73 mol 259 unq 1 iso 0 dist 5.30224 6.77938 4.99891 6.9899 7.09907 9.2872 5.31048 8.37865 11.4462 6.23661 numMergedOcc 0
74 mol 259 unq 2 iso 0 dist 5.30224 7.76676 5.32839 8.03219 4.04513 7.27192 5.31048 8.37865 9.64797 8.84648 numMergedOcc 0
75 mol 259 unq 3 iso 0 dist 5.30224 7.76676 5.32839 6.9899 7.09907 4.61451 5.31048 8.37865 9.64797 6.23661 numMergedOcc 0
