0 mol 7 unq 0 iso 0 dist 8.72114 9.67164 5.5683 12.2041 10.3148 5.99459 10.515 9.97624 8.81608 6.06176 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 5.99972 5.99459 6.12483 12.2041 11.2662 9.67164 6.06176 10.6471 8.81608 10.515 numMergedOcc 0
2 mol 25 unq 0 iso 0 dist 6.16347 9.48085 9.62058 10.9391 7.45383 9.49421 12.1492 10.7875 8.53931 4.70708 numMergedOcc 0
3 mol 25 unq 1 iso 0 dist 7.45383 9.49421 9.62058 10.9391 6.16347 9.48085 4.70708 10.7875 8.53931 12.1492 numMergedOcc 0
4 mol 25 unq 2 iso 0 dist 9.01548 9.49421 5.38592 10.9391 13.8469 9.48085 4.70708 6.63839 8.53931 12.1492 numMergedOcc 0
5 mol 25 unq 3 iso 0 dist 7.92503 9.48085 10.2758 10.9391 16.8925 9.49421 12.1492 16.6259 8.53931 4.70708 numMergedOcc 0
6 mol 62 unq 0 iso 0 dist 7.56205 9.69044 4.09232 8.62608 4.74544 6.9103 11.7069 6.04903 9.1062 5.49555 numMergedOcc 0
7 mol 62 unq 1 iso 0 dist 4.74544 6.9103 4.09232 8.62608 7.56205 9.69044 5.49555 6.04903 9.1062 11.7069 numMergedOcc 0
8 mol 72 unq 0 iso 0 dist 9.27838 7.12321 14.005 5.36766 11.1896 9.74228 9.0131 13.1462 9.14817 6.00418 numMergedOcc 0
9 mol 72 unq 1 iso 0 dist 9.27838 7.12321 14.005 8.24309 16.0048 6.21799 9.0131 13.1462 9.14817 6.11922 numMergedOcc 0
10 mol 98 unq 0 iso 0 dist 6.7117 5.10496 3.94967 9.51923 9.42961 5.92242 8.70415 6.0129 6.61111 9.74284 numMergedOcc 0
11 mol 98 unq 1 iso 0 dist 6.7117 5.10496 3.94967 8.40073 4.47349 5.2571 8.70415 6.0129 6.61111 10.0962 numMergedOcc 0
12 mol 98 unq 2 iso 0 dist 6.7117 5.10496 3.94967 10.2427 5.65185 8.7497 8.70415 6.0129 6.61111 11.2452 numMergedOcc 0
13 mol 98 unq 3 iso 0 dist 7.23884 9.64383 12.82 13.659 18.2503 7.54889 12.0058 15.3281 4.44979 10.0962 numMergedOcc 0
14 mol 98 unq 4 iso 0 dist 7.23884 9.64383 12.82 14.591 17.2188 7.78931 12.0058 15.3281 4.44979 11.2452 numMergedOcc 0
15 mol 98 unq 5 iso 0 dist 4.47349 7.54889 3.92737 13.659 12.5931 9.64383 10.0962 6.0129 4.44979 12.0058 numMergedOcc 0
16 mol 98 unq 6 iso 0 dist 4.47349 7.54889 3.92737 5.02887 5.65185 7.78931 10.0962 6.0129 4.44979 11.2452 numMergedOcc 0
17 mol 98 unq 7 iso 0 dist 4.47349 5.2571 3.94967 8.40073 6.7117 5.10496 10.0962 6.0129 6.61111 8.70415 numMergedOcc 0
18 mol 98 unq 8 iso 0 dist 4.47349 5.2571 3.94967 9.42358 9.42961 5.92242 10.0962 6.0129 6.61111 9.74284 numMergedOcc 0
19 mol 98 unq 9 iso 0 dist 4.47349 5.2571 3.94967 5.02887 5.65185 8.7497 10.0962 6.0129 6.61111 11.2452 numMergedOcc 0
20 mol 98 unq 10 iso 0 dist 5.65185 7.78931 3.92737 14.591 12.5931 9.64383 11.2452 6.0129 4.44979 12.0058 numMergedOcc 0
21 mol 98 unq 11 iso 0 dist 5.65185 7.78931 3.92737 5.02887 4.47349 7.54889 11.2452 6.0129 4.44979 10.0962 numMergedOcc 0
22 mol 98 unq 12 iso 0 dist 5.65185 8.7497 3.94967 10.2427 6.7117 5.10496 11.2452 6.0129 6.61111 8.70415 numMergedOcc 0
23 mol 98 unq 13 iso 0 dist 5.65185 8.7497 3.94967 13.9786 9.42961 5.92242 11.2452 6.0129 6.61111 9.74284 numMergedOcc 0
24 mol 98 unq 14 iso 0 dist 5.65185 8.7497 3.94967 5.02887 4.47349 5.2571 11.2452 6.0129 6.61111 10.0962 numMergedOcc 0
25 mol 119 unq 0 iso 0 dist 9.11344 6.99446 5.37917 10.9871 9.87889 8.95212 6.35763 11.1099 6.13374 10.3457 numMergedOcc 0
26 mol 119 unq 1 iso 0 dist 9.11344 6.99446 5.37917 10.9871 9.87889 8.95212 7.36192 11.8717 9.08536 16.7975 numMergedOcc 0
27 mol 119 unq 2 iso 0 dist 9.11344 6.99446 5.37917 4.85907 6.52773 7.64052 6.35763 11.1099 6.13374 10.0197 numMergedOcc 0
28 mol 119 unq 3 iso 0 dist 9.11344 6.99446 5.37917 4.85907 6.52773 7.64052 7.36192 11.8717 9.08536 10.6679 numMergedOcc 0
29 mol 119 unq 4 iso 0 dist 6.52773 7.64052 5.37917 9.93257 9.87889 8.95212 10.0197 11.1099 6.13374 10.3457 numMergedOcc 0
30 mol 119 unq 5 iso 0 dist 6.52773 7.64052 5.37917 9.93257 9.87889 8.95212 10.6679 11.8717 9.08536 16.7975 numMergedOcc 0
31 mol 119 unq 6 iso 0 dist 6.52773 7.64052 5.37917 4.85907 9.11344 6.99446 10.0197 11.1099 6.13374 6.35763 numMergedOcc 0
32 mol 119 unq 7 iso 0 dist 6.52773 7.64052 5.37917 4.85907 9.11344 6.99446 10.6679 11.8717 9.08536 7.36192 numMergedOcc 0
33 mol 119 unq 8 iso 0 dist 8.00003 8.95212 12.3661 10.9871 13.7362 6.99446 10.3457 16.109 6.13374 6.35763 numMergedOcc 0
34 mol 119 unq 9 iso 0 dist 8.00003 8.95212 12.3661 10.9871 13.7362 6.99446 16.7975 19.5351 9.08536 7.36192 numMergedOcc 0
35 mol 119 unq 10 iso 0 dist 8.00003 8.95212 12.3661 9.93257 9.77873 7.64052 10.3457 16.109 6.13374 10.0197 numMergedOcc 0
36 mol 119 unq 11 iso 0 dist 8.00003 8.95212 12.3661 9.93257 9.77873 7.64052 16.7975 19.5351 9.08536 10.6679 numMergedOcc 0
37 mol 119 unq 12 iso 0 dist 9.23858 7.64052 15.7711 9.93257 18.192 8.95212 10.0197 18.7646 6.13374 10.3457 numMergedOcc 0
38 mol 119 unq 13 iso 0 dist 9.23858 7.64052 15.7711 9.93257 18.192 8.95212 10.6679 15.8603 9.08536 16.7975 numMergedOcc 0
39 mol 119 unq 14 iso 0 dist 9.23858 7.64052 15.7711 4.85907 12.7677 6.99446 10.0197 18.7646 6.13374 6.35763 numMergedOcc 0
40 mol 119 unq 15 iso 0 dist 9.23858 7.64052 15.7711 4.85907 12.7677 6.99446 10.6679 15.8603 9.08536 7.36192 numMergedOcc 0
41 mol 134 unq 0 iso 0 dist 6.23142 9.33094 6.93712 6.81259 9.94764 8.69531 5.3585 8.55616 7.43401 6.74887 numMergedOcc 0
42 mol 134 unq 1 iso 0 dist 9.94764 9.1998 11.5269 11.6064 12.1214 6.42772 6.74887 8.55616 6.44575 5.31077 numMergedOcc 0
43 mol 134 unq 2 iso 0 dist 9.94764 9.1998 11.5269 7.09823 15.049 8.70621 6.74887 8.55616 6.44575 10.9715 numMergedOcc 0
44 mol 134 unq 3 iso 0 dist 9.94764 8.69531 6.93712 6.81259 6.23142 9.33094 6.74887 8.55616 7.43401 5.3585 numMergedOcc 0
45 mol 167 unq 0 iso 0 dist 9.67741 7.02548 5.95858 4.70068 11.6896 6.84752 6.36909 7.80054 7.30954 7.69326 numMergedOcc 0
46 mol 167 unq 1 iso 0 dist 9.67741 7.02548 5.95858 10.3445 12.8466 7.86563 6.36909 7.80054 7.30954 9.46955 numMergedOcc 0
47 mol 181 unq 0 iso 0 dist 5.94469 9.01624 11.9796 11.5866 14.8638 5.05973 6.7991 7.05653 6.76746 8.35755 numMergedOcc 0
48 mol 219 unq 0 iso 0 dist 7.59632 4.33238 5.75906 7.02195 10.3776 7.83604 4.74167 11.4406 7.30481 4.9853 numMergedOcc 0
49 mol 238 unq 0 iso 0 dist 9.24557 9.72188 17.1065 15.7907 21.6822 9.12776 15.5674 18.5467 9.84652 8.82861 numMergedOcc 0
50 mol 238 unq 1 iso 0 dist 7.10685 6.99888 6.65214 10.1813 14.7484 9.08509 5.54325 10.1326 5.43613 5.17471 numMergedOcc 0
51 mol 238 unq 2 iso 0 dist 7.10685 6.99888 6.65214 10.1813 14.7484 9.08509 10.0613 12.5578 7.06768 5.03393 numMergedOcc 0
52 mol 259 unq 0 iso 0 dist 7.08526 5.85442 4.47425 9.98105 10.4552 6.9899 5.79468 8.71497 6.23661 5.31048 numMergedOcc 0
53 mol 292 unq 0 iso 0 dist 7.83341 9.9182 13.4805 10.3106 16.7493 7.30758 9.98079 17.2669 9.08193 5.07048 numMergedOcc 0
54 mol 292 unq 1 iso 0 dist 7.83341 9.9182 13.4805 10.3106 16.7493 7.30758 18.0293 21.7057 8.73515 12.1551 numMergedOcc 0
55 mol 292 unq 2 iso 0 dist 7.83341 9.9182 13.4805 12.1693 16.0086 9.10788 9.98079 17.2669 9.08193 10.0311 numMergedOcc 0
56 mol 292 unq 3 iso 0 dist 7.83341 9.9182 13.4805 12.1693 16.0086 9.10788 18.0293 21.7057 8.73515 10.8709 numMergedOcc 0
57 mol 292 unq 4 iso 0 dist 8.87028 7.30758 4.09485 10.3106 10.0775 9.9182 5.07048 11.9174 9.08193 9.98079 numMergedOcc 0
58 mol 292 unq 5 iso 0 dist 8.87028 7.30758 4.09485 10.3106 10.0775 9.9182 12.1551 11.7643 8.73515 18.0293 numMergedOcc 0
59 mol 292 unq 6 iso 0 dist 8.87028 7.30758 4.09485 12.6861 12.7202 9.10788 5.07048 11.9174 9.08193 10.0311 numMergedOcc 0
60 mol 292 unq 7 iso 0 dist 8.87028 7.30758 4.09485 12.6861 12.7202 9.10788 12.1551 11.7643 8.73515 10.8709 numMergedOcc 0
