0 mol 18 unq 0 iso 0 dist 9.51761 5.65084 12.6536 7.04695 12.3965 5.04478 14.8965 21.6466 10.6819 9.35863 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 7.3094 5.65084 9.36767 7.04695 12.8594 5.04478 14.8965 20.0195 10.6819 9.35863 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 6.81627 5.38524 5.61579 5.98837 8.26899 7.03126 8.41778 6.20618 3.6461 7.60018 numMergedOcc 0
3 mol 58 unq 1 iso 0 dist 7.32874 8.69057 5.61579 4.55117 8.26899 7.03126 9.97819 6.20618 3.6461 7.60018 numMergedOcc 0
4 mol 72 unq 0 iso 0 dist 8.8178 7.12321 4.27726 9.0131 13.3133 9.14817 9.35457 5.93202 3.43675 9.76686 numMergedOcc 0
5 mol 72 unq 1 iso 0 dist 8.8178 7.12321 4.27726 9.0131 13.3133 9.14817 12.1131 8.7566 5.75711 9.437 numMergedOcc 0
6 mol 72 unq 2 iso 0 dist 9.96708 7.12321 7.47371 9.0131 7.321 9.14817 9.35457 9.67587 3.43675 9.76686 numMergedOcc 0
7 mol 72 unq 3 iso 0 dist 9.96708 7.12321 7.47371 9.0131 7.321 9.14817 12.1131 7.07356 5.75711 9.437 numMergedOcc 0
8 mol 72 unq 4 iso 0 dist 9.96708 9.55118 5.69391 7.11552 6.77912 5.4605 10.7102 10.0679 5.17981 9.37102 numMergedOcc 0
9 mol 72 unq 5 iso 0 dist 9.96708 9.55118 5.69391 7.11552 6.77912 5.4605 12.111 4.03844 4.85556 6.53824 numMergedOcc 0
10 mol 72 unq 6 iso 0 dist 9.96708 9.55118 5.69391 12.3903 10.4226 6.1906 10.7102 10.0679 5.17981 8.8184 numMergedOcc 0
11 mol 72 unq 7 iso 0 dist 9.96708 9.55118 5.69391 12.3903 10.4226 6.1906 13.641 5.57624 4.86472 8.70809 numMergedOcc 0
12 mol 72 unq 8 iso 0 dist 9.96708 9.55118 5.69391 12.3903 10.4226 6.1906 12.111 4.03844 4.85556 7.67686 numMergedOcc 0
13 mol 72 unq 9 iso 0 dist 9.96708 9.55118 5.69391 7.17489 10.4676 6.7272 10.7102 10.0679 5.17981 7.93683 numMergedOcc 0
14 mol 72 unq 10 iso 0 dist 9.96708 9.55118 5.69391 7.17489 10.4676 6.7272 9.10345 13.4212 9.20237 7.64009 numMergedOcc 0
15 mol 72 unq 11 iso 0 dist 9.96708 9.10345 13.4212 7.17489 10.4676 7.64009 10.7102 10.0679 5.56281 7.93683 numMergedOcc 0
16 mol 72 unq 12 iso 0 dist 9.96708 9.10345 13.4212 7.17489 10.4676 7.64009 9.55118 5.69391 9.20237 6.7272 numMergedOcc 0
17 mol 72 unq 13 iso 0 dist 9.78528 6.21799 7.47371 6.11922 7.321 9.14817 5.03251 9.67587 3.43675 9.76686 numMergedOcc 0
18 mol 72 unq 14 iso 0 dist 9.78528 6.21799 7.47371 6.11922 7.321 9.14817 7.66093 7.07356 5.75711 9.437 numMergedOcc 0
19 mol 72 unq 15 iso 0 dist 9.78528 5.03251 9.67587 6.11922 7.321 9.76686 6.21799 7.47371 3.43675 9.14817 numMergedOcc 0
20 mol 72 unq 16 iso 0 dist 9.78528 5.03251 9.67587 6.11922 7.321 9.76686 7.66093 7.07356 5.26077 9.437 numMergedOcc 0
21 mol 72 unq 17 iso 0 dist 9.78528 7.66093 7.07356 6.11922 7.321 9.437 6.21799 7.47371 5.75711 9.14817 numMergedOcc 0
22 mol 72 unq 18 iso 0 dist 9.78528 7.66093 7.07356 6.11922 7.321 9.437 5.03251 9.67587 5.26077 9.76686 numMergedOcc 0
23 mol 72 unq 19 iso 0 dist 9.78528 9.55118 9.78221 7.11552 11.9814 5.4605 10.7102 10.1392 5.17981 9.37102 numMergedOcc 0
24 mol 72 unq 20 iso 0 dist 9.78528 9.55118 9.78221 7.11552 11.9814 5.4605 12.111 11.5881 4.85556 6.53824 numMergedOcc 0
25 mol 72 unq 21 iso 0 dist 9.78528 9.55118 9.78221 12.3903 15.7961 6.1906 10.7102 10.1392 5.17981 8.8184 numMergedOcc 0
26 mol 72 unq 22 iso 0 dist 9.78528 9.55118 9.78221 12.3903 15.7961 6.1906 13.641 11.0769 4.86472 8.70809 numMergedOcc 0
27 mol 72 unq 23 iso 0 dist 9.78528 9.55118 9.78221 12.3903 15.7961 6.1906 12.111 11.5881 4.85556 7.67686 numMergedOcc 0
28 mol 72 unq 24 iso 0 dist 9.78528 9.55118 9.78221 7.17489 13.3943 6.7272 10.7102 10.1392 5.17981 7.93683 numMergedOcc 0
29 mol 72 unq 25 iso 0 dist 9.78528 9.55118 9.78221 7.17489 13.3943 6.7272 9.10345 11.6634 9.20237 7.64009 numMergedOcc 0
30 mol 72 unq 26 iso 0 dist 9.78528 9.10345 11.6634 7.17489 13.3943 7.64009 10.7102 10.1392 5.56281 7.93683 numMergedOcc 0
31 mol 72 unq 27 iso 0 dist 9.78528 9.10345 11.6634 7.17489 13.3943 7.64009 9.55118 9.78221 9.20237 6.7272 numMergedOcc 0
32 mol 98 unq 0 iso 0 dist 5.08437 5.10496 3.9764 8.70415 10.417 6.61111 9.81956 10.4782 6.70343 4.44979 numMergedOcc 0
33 mol 98 unq 1 iso 0 dist 6.48948 5.92242 3.9764 9.74284 10.417 6.61111 10.8223 10.4782 6.70343 4.44979 numMergedOcc 0
34 mol 98 unq 2 iso 0 dist 6.10456 7.54889 10.4782 10.0962 10.417 4.44979 5.2571 3.9764 6.70343 6.61111 numMergedOcc 0
35 mol 98 unq 3 iso 0 dist 6.10456 5.2571 3.9764 10.0962 10.417 6.61111 7.54889 10.4782 6.70343 4.44979 numMergedOcc 0
36 mol 119 unq 0 iso 0 dist 8.73993 7.64052 9.68677 10.6679 9.63176 9.08536 12.31 6.9194 12.7135 6.55202 numMergedOcc 0
37 mol 119 unq 1 iso 0 dist 9.87172 6.99446 6.20019 7.36192 7.44174 9.08536 11.2897 12.4621 12.7135 6.55202 numMergedOcc 0
38 mol 119 unq 2 iso 0 dist 6.18601 8.95212 4.39676 16.7975 13.4411 9.08536 20.5378 16.9146 12.7135 6.55202 numMergedOcc 0
39 mol 134 unq 0 iso 0 dist 8.94367 9.33094 7.41373 5.3585 11.2292 7.43401 11.0808 12.8086 5.83782 6.44575 numMergedOcc 0
40 mol 134 unq 1 iso 0 dist 6.37586 9.33094 10.8635 5.3585 10.9613 7.43401 11.0808 15.0225 5.83782 6.44575 numMergedOcc 0
41 mol 134 unq 2 iso 0 dist 6.49416 9.33094 12.3479 5.3585 10.9685 7.43401 11.0808 15.9138 5.83782 6.44575 numMergedOcc 0
42 mol 134 unq 3 iso 0 dist 9.86662 9.1998 12.8086 6.74887 11.2292 6.44575 8.69531 7.41373 5.83782 7.43401 numMergedOcc 0
43 mol 134 unq 4 iso 0 dist 9.86662 8.69531 7.41373 6.74887 11.2292 7.43401 9.1998 12.8086 5.83782 6.44575 numMergedOcc 0
44 mol 134 unq 5 iso 0 dist 9.71307 9.1998 15.0225 6.74887 10.9613 6.44575 8.69531 10.8635 5.83782 7.43401 numMergedOcc 0
45 mol 134 unq 6 iso 0 dist 9.71307 8.69531 10.8635 6.74887 10.9613 7.43401 9.1998 15.0225 5.83782 6.44575 numMergedOcc 0
46 mol 143 unq 0 iso 0 dist 5.99315 7.36975 13.1926 5.44503 9.93541 8.18023 5.40637 7.39837 10.1474 7.46803 numMergedOcc 0
47 mol 143 unq 1 iso 0 dist 5.99315 5.40637 7.39837 5.44503 9.93541 7.46803 7.36975 13.1926 10.1474 8.18023 numMergedOcc 0
48 mol 167 unq 0 iso 0 dist 9.87651 7.20495 7.87971 6.36909 15.1367 9.1326 7.02548 11.6011 6.81449 7.30954 numMergedOcc 0
49 mol 167 unq 1 iso 0 dist 9.87651 7.02548 11.6011 6.36909 15.1367 7.30954 7.20495 7.87971 6.81449 9.1326 numMergedOcc 0
50 mol 181 unq 0 iso 0 dist 7.81386 6.64173 6.8757 6.7991 4.93785 9.09234 9.01624 5.71898 11.196 6.76746 numMergedOcc 0
51 mol 181 unq 1 iso 0 dist 7.81386 6.64173 6.8757 6.7991 4.93785 9.09234 9.55105 5.83796 10.1041 8.92098 numMergedOcc 0
52 mol 181 unq 2 iso 0 dist 7.81386 9.01624 5.71898 6.7991 4.93785 6.76746 6.64173 6.8757 11.196 9.09234 numMergedOcc 0
53 mol 181 unq 3 iso 0 dist 7.81386 9.01624 5.71898 6.7991 4.93785 6.76746 9.55105 5.83796 3.55187 8.92098 numMergedOcc 0
54 mol 181 unq 4 iso 0 dist 7.81386 9.55105 5.83796 6.7991 4.93785 8.92098 6.64173 6.8757 10.1041 9.09234 numMergedOcc 0
55 mol 181 unq 5 iso 0 dist 7.81386 9.55105 5.83796 6.7991 4.93785 8.92098 9.01624 5.71898 3.55187 6.76746 numMergedOcc 0
56 mol 181 unq 6 iso 0 dist 7.63312 6.64173 10.6474 6.7991 10.1232 9.09234 9.01624 5.93724 11.196 6.76746 numMergedOcc 0
57 mol 181 unq 7 iso 0 dist 7.63312 6.64173 10.6474 6.7991 10.1232 9.09234 9.55105 5.12833 10.1041 8.92098 numMergedOcc 0
58 mol 181 unq 8 iso 0 dist 7.63312 9.01624 5.93724 6.7991 10.1232 6.76746 6.64173 10.6474 11.196 9.09234 numMergedOcc 0
59 mol 181 unq 9 iso 0 dist 7.63312 9.01624 5.93724 6.7991 10.1232 6.76746 9.55105 5.12833 3.55187 8.92098 numMergedOcc 0
60 mol 181 unq 10 iso 0 dist 7.63312 9.55105 5.12833 6.7991 10.1232 8.92098 6.64173 10.6474 10.1041 9.09234 numMergedOcc 0
61 mol 181 unq 11 iso 0 dist 7.63312 9.55105 5.12833 6.7991 10.1232 8.92098 9.01624 5.93724 3.55187 6.76746 numMergedOcc 0
62 mol 238 unq 0 iso 0 dist 6.22714 9.08509 12.7938 5.17471 7.49471 5.43613 10.1172 6.82305 11.1752 7.24334 numMergedOcc 0
63 mol 238 unq 1 iso 0 dist 6.22714 9.08509 12.7938 5.03393 10.9946 7.06768 12.47 16.1799 3.46869 9.82327 numMergedOcc 0
64 mol 238 unq 2 iso 0 dist 6.22714 9.08509 12.7938 5.03393 10.9946 7.06768 9.7696 13.9569 8.33582 9.08687 numMergedOcc 0
65 mol 238 unq 3 iso 0 dist 7.31233 9.08509 11.0772 5.17471 7.19008 5.43613 10.1172 5.71717 11.1752 7.24334 numMergedOcc 0
66 mol 238 unq 4 iso 0 dist 7.31233 9.08509 11.0772 5.03393 11.3465 7.06768 12.47 14.0512 3.46869 9.82327 numMergedOcc 0
67 mol 238 unq 5 iso 0 dist 7.31233 9.08509 11.0772 5.03393 11.3465 7.06768 9.7696 10.4966 8.33582 9.08687 numMergedOcc 0
68 mol 259 unq 0 iso 0 dist 7.46176 5.85442 10.067 5.79468 7.48005 6.23661 11.7465 10.282 8.0048 8.84648 numMergedOcc 0
69 mol 259 unq 1 iso 0 dist 5.30224 8.03219 4.04513 5.31048 8.37865 8.84648 6.9899 7.09907 8.0048 6.23661 numMergedOcc 0
70 mol 259 unq 2 iso 0 dist 5.30224 6.9899 7.09907 5.31048 8.37865 6.23661 8.03219 4.04513 8.0048 8.84648 numMergedOcc 0
71 mol 272 unq 0 iso 0 dist 8.48753 6.44147 5.12237 6.64985 7.67853 8.84523 11.4951 5.41667 9.5745 6.95241 numMergedOcc 0
