0 mol 58 unq 0 iso 0 dist 8.66539 5.79773 5.38524 10.8078 7.03126 5.98837 12.2304 3.6461 8.41778 7.60018 numMergedOcc 0
1 mol 58 unq 0 iso 1 dist 5.38524 5.79773 8.66539 5.98837 7.03126 10.8078 8.41778 3.6461 12.2304 7.60018 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 8.66539 10.8779 8.69057 10.8078 7.03126 4.55117 12.2304 3.6461 9.97819 7.60018 numMergedOcc 0
3 mol 58 unq 1 iso 1 dist 8.69057 10.8779 8.66539 4.55117 7.03126 10.8078 9.97819 3.6461 12.2304 7.60018 numMergedOcc 0
4 mol 58 unq 1 iso 0 dist 5.38524 5.47421 8.69057 5.98837 7.03126 4.55117 8.41778 3.6461 9.97819 7.60018 numMergedOcc 0
5 mol 58 unq 1 iso 1 dist 8.69057 5.47421 5.38524 4.55117 7.03126 5.98837 9.97819 3.6461 8.41778 7.60018 numMergedOcc 0
6 mol 72 unq 0 iso 0 dist 9.74228 5.36766 7.12321 6.00418 9.14817 9.0131 10.7906 3.43675 9.35457 9.76686 numMergedOcc 0
7 mol 72 unq 0 iso 1 dist 7.12321 5.36766 9.74228 9.0131 9.14817 6.00418 9.35457 3.43675 10.7906 9.76686 numMergedOcc 0
8 mol 72 unq 1 iso 0 dist 9.74228 5.36766 7.12321 6.00418 9.14817 9.0131 12.952 5.75711 12.1131 9.437 numMergedOcc 0
9 mol 72 unq 1 iso 1 dist 7.12321 5.36766 9.74228 9.0131 9.14817 6.00418 12.1131 5.75711 12.952 9.437 numMergedOcc 0
10 mol 72 unq 2 iso 0 dist 9.74228 7.04035 6.21799 6.00418 9.14817 6.11922 10.7906 3.43675 5.03251 9.76686 numMergedOcc 0
11 mol 72 unq 2 iso 1 dist 6.21799 7.04035 9.74228 6.11922 9.14817 6.00418 5.03251 3.43675 10.7906 9.76686 numMergedOcc 0
12 mol 72 unq 3 iso 0 dist 9.74228 7.04035 6.21799 6.00418 9.14817 6.11922 12.952 5.75711 7.66093 9.437 numMergedOcc 0
13 mol 72 unq 3 iso 1 dist 6.21799 7.04035 9.74228 6.11922 9.14817 6.00418 7.66093 5.75711 12.952 9.437 numMergedOcc 0
14 mol 72 unq 2 iso 0 dist 7.12321 8.24309 6.21799 9.0131 9.14817 6.11922 9.35457 3.43675 5.03251 9.76686 numMergedOcc 0
15 mol 72 unq 2 iso 1 dist 6.21799 8.24309 7.12321 6.11922 9.14817 9.0131 5.03251 3.43675 9.35457 9.76686 numMergedOcc 0
16 mol 72 unq 3 iso 0 dist 7.12321 8.24309 6.21799 9.0131 9.14817 6.11922 12.1131 5.75711 7.66093 9.437 numMergedOcc 0
17 mol 72 unq 3 iso 1 dist 6.21799 8.24309 7.12321 6.11922 9.14817 9.0131 7.66093 5.75711 12.1131 9.437 numMergedOcc 0
18 mol 72 unq 4 iso 0 dist 5.03251 5.8486 9.56773 6.11922 9.76686 9.93049 6.21799 3.43675 10.9808 9.14817 numMergedOcc 0
19 mol 72 unq 4 iso 1 dist 9.56773 5.8486 5.03251 9.93049 9.76686 6.11922 10.9808 3.43675 6.21799 9.14817 numMergedOcc 0
20 mol 72 unq 5 iso 0 dist 5.03251 5.8486 9.56773 6.11922 9.76686 9.93049 7.66093 5.26077 13.336 9.437 numMergedOcc 0
21 mol 72 unq 5 iso 1 dist 9.56773 5.8486 5.03251 9.93049 9.76686 6.11922 13.336 5.26077 7.66093 9.437 numMergedOcc 0
22 mol 78 unq 0 iso 0 dist 6.85523 7.19663 8.65848 4.92509 5.47706 5.22036 11.5776 7.95975 7.25801 8.89842 numMergedOcc 0
23 mol 78 unq 0 iso 1 dist 8.65848 7.19663 6.85523 5.22036 5.47706 4.92509 7.25801 7.95975 11.5776 8.89842 numMergedOcc 0
24 mol 78 unq 1 iso 0 dist 6.85523 7.19663 8.65848 4.92509 5.47706 5.22036 5.77326 8.2592 12.35 8.07568 numMergedOcc 0
25 mol 78 unq 1 iso 1 dist 8.65848 7.19663 6.85523 5.22036 5.47706 4.92509 12.35 8.2592 5.77326 8.07568 numMergedOcc 0
26 mol 98 unq 0 iso 0 dist 5.10496 9.51923 5.92242 8.70415 6.61111 9.74284 9.81956 6.70343 10.8223 4.44979 numMergedOcc 0
27 mol 98 unq 0 iso 1 dist 5.92242 9.51923 5.10496 9.74284 6.61111 8.70415 10.8223 6.70343 9.81956 4.44979 numMergedOcc 0
28 mol 98 unq 1 iso 0 dist 5.10496 8.40073 5.2571 8.70415 6.61111 10.0962 9.81956 6.70343 7.54889 4.44979 numMergedOcc 0
29 mol 98 unq 1 iso 1 dist 5.2571 8.40073 5.10496 10.0962 6.61111 8.70415 7.54889 6.70343 9.81956 4.44979 numMergedOcc 0
30 mol 98 unq 2 iso 0 dist 5.10496 10.2427 8.7497 8.70415 6.61111 11.2452 9.81956 6.70343 7.78931 4.44979 numMergedOcc 0
31 mol 98 unq 2 iso 1 dist 8.7497 10.2427 5.10496 11.2452 6.61111 8.70415 7.78931 6.70343 9.81956 4.44979 numMergedOcc 0
32 mol 98 unq 3 iso 0 dist 9.64383 13.659 7.54889 12.0058 4.44979 10.0962 14.0897 6.70343 5.2571 6.61111 numMergedOcc 0
33 mol 98 unq 3 iso 1 dist 7.54889 13.659 9.64383 10.0962 4.44979 12.0058 5.2571 6.70343 14.0897 6.61111 numMergedOcc 0
34 mol 98 unq 4 iso 0 dist 9.64383 14.591 7.78931 12.0058 4.44979 11.2452 14.0897 6.70343 8.7497 6.61111 numMergedOcc 0
35 mol 98 unq 4 iso 1 dist 7.78931 14.591 9.64383 11.2452 4.44979 12.0058 8.7497 6.70343 14.0897 6.61111 numMergedOcc 0
36 mol 98 unq 1 iso 0 dist 5.92242 9.42358 5.2571 9.74284 6.61111 10.0962 10.8223 6.70343 7.54889 4.44979 numMergedOcc 0
37 mol 98 unq 1 iso 1 dist 5.2571 9.42358 5.92242 10.0962 6.61111 9.74284 7.54889 6.70343 10.8223 4.44979 numMergedOcc 0
38 mol 98 unq 2 iso 0 dist 5.92242 13.9786 8.7497 9.74284 6.61111 11.2452 10.8223 6.70343 7.78931 4.44979 numMergedOcc 0
39 mol 98 unq 2 iso 1 dist 8.7497 13.9786 5.92242 11.2452 6.61111 9.74284 7.78931 6.70343 10.8223 4.44979 numMergedOcc 0
40 mol 98 unq 4 iso 0 dist 7.54889 5.02887 7.78931 10.0962 4.44979 11.2452 5.2571 6.70343 8.7497 6.61111 numMergedOcc 0
41 mol 98 unq 4 iso 1 dist 7.78931 5.02887 7.54889 11.2452 4.44979 10.0962 8.7497 6.70343 5.2571 6.61111 numMergedOcc 0
42 mol 98 unq 2 iso 0 dist 5.2571 5.02887 8.7497 10.0962 6.61111 11.2452 7.54889 6.70343 7.78931 4.44979 numMergedOcc 0
43 mol 98 unq 2 iso 1 dist 8.7497 5.02887 5.2571 11.2452 6.61111 10.0962 7.78931 6.70343 7.54889 4.44979 numMergedOcc 0
44 mol 119 unq 0 iso 0 dist 8.95212 10.9871 6.99446 16.7975 9.08536 7.36192 20.5378 12.7135 11.2897 6.55202 numMergedOcc 0
45 mol 119 unq 0 iso 1 dist 6.99446 10.9871 8.95212 7.36192 9.08536 16.7975 11.2897 12.7135 20.5378 6.55202 numMergedOcc 0
46 mol 119 unq 1 iso 0 dist 8.95212 9.93257 7.64052 16.7975 9.08536 10.6679 20.5378 12.7135 12.31 6.55202 numMergedOcc 0
47 mol 119 unq 1 iso 1 dist 7.64052 9.93257 8.95212 10.6679 9.08536 16.7975 12.31 12.7135 20.5378 6.55202 numMergedOcc 0
48 mol 119 unq 1 iso 0 dist 6.99446 4.85907 7.64052 7.36192 9.08536 10.6679 11.2897 12.7135 12.31 6.55202 numMergedOcc 0
49 mol 119 unq 1 iso 1 dist 7.64052 4.85907 6.99446 10.6679 9.08536 7.36192 12.31 12.7135 11.2897 6.55202 numMergedOcc 0
50 mol 134 unq 0 iso 0 dist 9.10524 14.069 9.00918 14.0644 5.73203 5.9915 10.6728 4.87973 7.99477 6.57379 numMergedOcc 0
51 mol 134 unq 0 iso 1 dist 9.00918 14.069 9.10524 5.9915 5.73203 14.0644 7.99477 4.87973 10.6728 6.57379 numMergedOcc 0
52 mol 134 unq 1 iso 0 dist 6.42772 11.6064 9.1998 5.31077 6.44575 6.74887 9.70973 5.83782 8.69531 7.43401 numMergedOcc 0
53 mol 134 unq 1 iso 1 dist 9.1998 11.6064 6.42772 6.74887 6.44575 5.31077 8.69531 5.83782 9.70973 7.43401 numMergedOcc 0
54 mol 134 unq 2 iso 0 dist 6.42772 13.7309 8.70621 5.31077 6.44575 10.9715 9.70973 5.83782 10.3432 7.43401 numMergedOcc 0
55 mol 134 unq 2 iso 1 dist 8.70621 13.7309 6.42772 10.9715 6.44575 5.31077 10.3432 5.83782 9.70973 7.43401 numMergedOcc 0
56 mol 134 unq 3 iso 0 dist 9.33094 6.81259 8.69531 5.3585 7.43401 6.74887 11.0808 5.83782 9.1998 6.44575 numMergedOcc 0
57 mol 134 unq 3 iso 1 dist 8.69531 6.81259 9.33094 6.74887 7.43401 5.3585 9.1998 5.83782 11.0808 6.44575 numMergedOcc 0
58 mol 134 unq 2 iso 0 dist 9.1998 7.09823 8.70621 6.74887 6.44575 10.9715 8.69531 5.83782 10.3432 7.43401 numMergedOcc 0
59 mol 134 unq 2 iso 1 dist 8.70621 7.09823 9.1998 10.9715 6.44575 6.74887 10.3432 5.83782 8.69531 7.43401 numMergedOcc 0
60 mol 134 unq 4 iso 0 dist 5.35237 6.90348 7.99477 8.96357 6.57379 5.9915 9.69086 4.87973 9.00918 5.73203 numMergedOcc 0
61 mol 134 unq 4 iso 1 dist 7.99477 6.90348 5.35237 5.9915 6.57379 8.96357 9.00918 4.87973 9.69086 5.73203 numMergedOcc 0
62 mol 167 unq 0 iso 0 dist 6.84752 6.44246 7.86563 7.69326 7.30954 9.46955 10.5499 6.81449 14.1851 9.1326 numMergedOcc 0
63 mol 167 unq 0 iso 1 dist 7.86563 6.44246 6.84752 9.46955 7.30954 7.69326 14.1851 6.81449 10.5499 9.1326 numMergedOcc 0
64 mol 167 unq 1 iso 0 dist 6.84752 4.70068 7.02548 7.69326 7.30954 6.36909 10.5499 6.81449 7.20495 9.1326 numMergedOcc 0
65 mol 167 unq 1 iso 1 dist 7.02548 4.70068 6.84752 6.36909 7.30954 7.69326 7.20495 6.81449 10.5499 9.1326 numMergedOcc 0
66 mol 167 unq 1 iso 0 dist 7.86563 10.3445 7.02548 9.46955 7.30954 6.36909 14.1851 6.81449 7.20495 9.1326 numMergedOcc 0
67 mol 167 unq 1 iso 1 dist 7.02548 10.3445 7.86563 6.36909 7.30954 9.46955 7.20495 6.81449 14.1851 9.1326 numMergedOcc 0
68 mol 181 unq 0 iso 0 dist 9.01624 11.5866 5.05973 6.7991 6.76746 8.35755 6.64173 11.196 15.3823 9.09234 numMergedOcc 0
69 mol 181 unq 0 iso 1 dist 5.05973 11.5866 9.01624 8.35755 6.76746 6.7991 15.3823 11.196 6.64173 9.09234 numMergedOcc 0
70 mol 181 unq 1 iso 0 dist 9.01624 11.5866 5.05973 6.7991 6.76746 8.35755 9.55105 3.55187 8.40951 8.92098 numMergedOcc 0
71 mol 181 unq 1 iso 1 dist 5.05973 11.5866 9.01624 8.35755 6.76746 6.7991 8.40951 3.55187 9.55105 8.92098 numMergedOcc 0
72 mol 225 unq 0 iso 0 dist 8.1945 13.3965 6.50998 10.7506 8.91356 8.69249 14.181 9.9109 11.7112 9.57455 numMergedOcc 0
73 mol 225 unq 0 iso 1 dist 6.50998 13.3965 8.1945 8.69249 8.91356 10.7506 11.7112 9.9109 14.181 9.57455 numMergedOcc 0
74 mol 238 unq 0 iso 0 dist 6.99888 10.1813 9.08509 5.54325 5.43613 5.17471 8.63015 11.1752 10.1172 7.24334 numMergedOcc 0
75 mol 238 unq 0 iso 1 dist 9.08509 10.1813 6.99888 5.17471 5.43613 5.54325 10.1172 11.1752 8.63015 7.24334 numMergedOcc 0
76 mol 238 unq 1 iso 0 dist 6.99888 10.1813 9.08509 10.0613 7.06768 5.03393 9.07475 3.46869 12.47 9.82327 numMergedOcc 0
77 mol 238 unq 1 iso 1 dist 9.08509 10.1813 6.99888 5.03393 7.06768 10.0613 12.47 3.46869 9.07475 9.82327 numMergedOcc 0
78 mol 238 unq 2 iso 0 dist 6.99888 10.1813 9.08509 10.0613 7.06768 5.03393 14.3724 8.33582 9.7696 9.08687 numMergedOcc 0
79 mol 238 unq 2 iso 1 dist 9.08509 10.1813 6.99888 5.03393 7.06768 10.0613 9.7696 8.33582 14.3724 9.08687 numMergedOcc 0
80 mol 259 unq 0 iso 0 dist 5.85442 9.98105 6.9899 5.79468 6.23661 5.31048 11.7465 8.0048 8.03219 8.84648 numMergedOcc 0
81 mol 259 unq 0 iso 1 dist 6.9899 9.98105 5.85442 5.31048 6.23661 5.79468 8.03219 8.0048 11.7465 8.84648 numMergedOcc 0
82 mol 267 unq 0 iso 0 dist 8.8293 5.91646 7.34981 7.11419 5.08174 6.45566 9.33497 11.3792 10.3168 6.32877 numMergedOcc 0
83 mol 267 unq 0 iso 1 dist 7.34981 5.91646 8.8293 6.45566 5.08174 7.11419 10.3168 11.3792 9.33497 6.32877 numMergedOcc 0
84 mol 267 unq 1 iso 0 dist 8.8293 5.91646 7.34981 7.11419 5.08174 6.45566 14.4164 13.5886 15.2499 9.48115 numMergedOcc 0
85 mol 267 unq 1 iso 1 dist 7.34981 5.91646 8.8293 6.45566 5.08174 7.11419 15.2499 13.5886 14.4164 9.48115 numMergedOcc 0
86 mol 267 unq 2 iso 0 dist 8.8293 5.91646 7.34981 7.11419 5.08174 6.45566 15.0638 7.9327 11.8835 8.38545 numMergedOcc 0
87 mol 267 unq 2 iso 1 dist 7.34981 5.91646 8.8293 6.45566 5.08174 7.11419 11.8835 7.9327 15.0638 8.38545 numMergedOcc 0
88 mol 267 unq 3 iso 0 dist 8.8293 5.91646 7.34981 7.11419 5.08174 6.45566 11.5802 3.51278 10.316 6.10838 numMergedOcc 0
89 mol 267 unq 3 iso 1 dist 7.34981 5.91646 8.8293 6.45566 5.08174 7.11419 10.316 3.51278 11.5802 6.10838 numMergedOcc 0
90 mol 292 unq 0 iso 0 dist 9.9182 10.3106 7.30758 18.0293 8.73515 12.1551 17.5894 8.21724 14.4052 6.1905 numMergedOcc 0
91 mol 292 unq 0 iso 1 dist 7.30758 10.3106 9.9182 12.1551 8.73515 18.0293 14.4052 8.21724 17.5894 6.1905 numMergedOcc 0
92 mol 292 unq 1 iso 0 dist 9.9182 10.3106 7.30758 18.0293 8.73515 12.1551 13.4489 3.57128 9.46442 5.84792 numMergedOcc 0
93 mol 292 unq 1 iso 1 dist 7.30758 10.3106 9.9182 12.1551 8.73515 18.0293 9.46442 3.57128 13.4489 5.84792 numMergedOcc 0
94 mol 292 unq 2 iso 0 dist 9.9182 12.1693 9.10788 18.0293 8.73515 10.8709 17.5894 8.21724 12.0935 6.1905 numMergedOcc 0
95 mol 292 unq 2 iso 1 dist 9.10788 12.1693 9.9182 10.8709 8.73515 18.0293 12.0935 8.21724 17.5894 6.1905 numMergedOcc 0
96 mol 292 unq 3 iso 0 dist 9.9182 12.1693 9.10788 18.0293 8.73515 10.8709 13.4489 3.57128 9.96037 5.84792 numMergedOcc 0
97 mol 292 unq 3 iso 1 dist 9.10788 12.1693 9.9182 10.8709 8.73515 18.0293 9.96037 3.57128 13.4489 5.84792 numMergedOcc 0
98 mol 292 unq 2 iso 0 dist 7.30758 12.6861 9.10788 12.1551 8.73515 10.8709 14.4052 8.21724 12.0935 6.1905 numMergedOcc 0
99 mol 292 unq 2 iso 1 dist 9.10788 12.6861 7.30758 10.8709 8.73515 12.1551 12.0935 8.21724 14.4052 6.1905 numMergedOcc 0
100 mol 292 unq 3 iso 0 dist 7.30758 12.6861 9.10788 12.1551 8.73515 10.8709 9.46442 3.57128 9.96037 5.84792 numMergedOcc 0
101 mol 292 unq 3 iso 1 dist 9.10788 12.6861 7.30758 10.8709 8.73515 12.1551 9.96037 3.57128 9.46442 5.84792 numMergedOcc 0
