0 mol 8 unq 0 iso 0 dist 9.00925 6.92865 11.3728 8.89145 5.7343 8.02605 6.88402 15.3607 8.99126 14.849 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 9.31149 8.17898 7.59626 9.04834 9.14256 10.2656 12.0005 14.2613 7.03948 16.3417 numMergedOcc 0
2 mol 19 unq 0 iso 0 dist 9.3147 7.84393 10.5285 7.78708 9.38012 8.01051 6.31174 14.6162 8.73972 12.3782 numMergedOcc 0
3 mol 19 unq 1 iso 0 dist 9.79426 7.84393 9.84922 7.78708 9.55318 8.01051 6.31174 9.04865 8.73972 12.3782 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.3473 9.10915 9.82646 7.02352 9.96083 9.21892 12.9814 17.231 8.68586 15.6843 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 8.36667 8.24121 14.9981 8.52371 13.689 10.149 6.51655 14.7243 7.04352 10.5996 numMergedOcc 0
6 mol 69 unq 1 iso 0 dist 8.36667 8.24121 14.9981 8.52371 13.689 10.149 15.9496 21.1392 8.1114 16.9687 numMergedOcc 0
7 mol 69 unq 2 iso 0 dist 8.36667 8.24121 14.9981 6.8198 5.23597 12.0119 6.51655 14.7243 7.04352 13.0654 numMergedOcc 0
8 mol 69 unq 3 iso 0 dist 8.36667 8.24121 14.9981 6.8198 5.23597 12.0119 15.9496 21.1392 8.1114 18.2373 numMergedOcc 0
9 mol 73 unq 0 iso 0 dist 5.39171 4.24428 8.04817 6.30194 5.2774 5.7113 5.14919 6.4154 5.64598 4.65521 numMergedOcc 0
10 mol 73 unq 1 iso 0 dist 5.39171 6.30194 5.2774 4.24428 8.04817 5.7113 5.14919 6.4154 4.65521 5.64598 numMergedOcc 0
11 mol 73 unq 2 iso 0 dist 9.27355 4.24428 9.76331 6.30194 5.44275 5.7113 5.14919 9.51458 5.64598 4.65521 numMergedOcc 0
12 mol 73 unq 3 iso 0 dist 9.27355 6.30194 5.44275 4.24428 9.76331 5.7113 5.14919 9.51458 4.65521 5.64598 numMergedOcc 0
13 mol 73 unq 4 iso 0 dist 8.60363 4.24428 10.4402 6.30194 8.0624 5.7113 5.14919 10.9127 5.64598 4.65521 numMergedOcc 0
14 mol 73 unq 5 iso 0 dist 8.60363 6.30194 8.0624 4.24428 10.4402 5.7113 5.14919 10.9127 4.65521 5.64598 numMergedOcc 0
15 mol 87 unq 0 iso 0 dist 9.10245 5.26938 5.39287 8.91602 11.6194 7.40574 7.62644 12.6881 7.51358 8.32298 numMergedOcc 0
16 mol 87 unq 1 iso 0 dist 9.10245 5.26938 5.39287 8.91602 11.6194 7.40574 10.8096 11.2241 8.93296 14.2495 numMergedOcc 0
17 mol 87 unq 2 iso 0 dist 9.10245 8.91602 11.6194 5.26938 5.39287 7.40574 7.62644 12.6881 8.32298 7.51358 numMergedOcc 0
18 mol 127 unq 0 iso 0 dist 8.98151 8.62711 6.75619 6.65963 5.38 7.30196 13.376 14.869 9.81878 11.7714 numMergedOcc 0
19 mol 140 unq 0 iso 0 dist 9.92335 9.41832 8.78908 5.44596 4.83408 6.43459 6.92517 11.5599 6.95323 7.27371 numMergedOcc 0
20 mol 140 unq 1 iso 0 dist 9.92335 9.41832 8.78908 9.69069 12.2686 8.90548 6.92517 11.5599 6.95323 12.3335 numMergedOcc 0
21 mol 140 unq 2 iso 0 dist 9.92335 5.44596 4.83408 9.41832 8.78908 6.43459 6.92517 11.5599 7.27371 6.95323 numMergedOcc 0
22 mol 140 unq 3 iso 0 dist 9.92335 5.44596 4.83408 9.69069 12.2686 9.87462 6.92517 11.5599 7.27371 12.3335 numMergedOcc 0
23 mol 175 unq 0 iso 0 dist 8.6609 6.73365 6.15969 9.45659 11.0866 5.35493 7.92448 12.2829 9.0664 11.5506 numMergedOcc 0
24 mol 175 unq 1 iso 0 dist 8.6609 6.73365 6.15969 9.44856 13.5907 9.63234 7.92448 12.2829 9.0664 14.78 numMergedOcc 0
25 mol 175 unq 2 iso 0 dist 6.21546 6.73365 5.50014 9.45659 7.39186 5.35493 7.92448 12.616 9.0664 11.5506 numMergedOcc 0
26 mol 175 unq 3 iso 0 dist 6.21546 6.73365 5.50014 9.44856 7.05768 9.63234 7.92448 12.616 9.0664 14.78 numMergedOcc 0
27 mol 175 unq 4 iso 0 dist 6.03184 6.73365 7.28617 9.45659 5.77256 5.35493 7.92448 9.95921 9.0664 11.5506 numMergedOcc 0
28 mol 175 unq 5 iso 0 dist 6.03184 6.73365 7.28617 9.44856 4.96871 9.63234 7.92448 9.95921 9.0664 14.78 numMergedOcc 0
29 mol 219 unq 0 iso 0 dist 4.67452 8.09769 10.0509 7.24832 5.48556 7.02195 7.42613 10.719 4.87541 10.105 numMergedOcc 0
30 mol 238 unq 0 iso 0 dist 6.74214 8.89538 10.4952 7.98022 6.62361 13.0839 13.2905 14.0108 6.77463 14.1514 numMergedOcc 0
31 mol 238 unq 1 iso 0 dist 6.74214 8.89538 10.4952 7.98022 6.62361 13.0839 10.4286 15.4111 7.2766 16.5748 numMergedOcc 0
32 mol 238 unq 2 iso 0 dist 5.33462 8.89538 7.22173 7.98022 5.96552 13.0839 13.2905 9.75691 6.77463 14.1514 numMergedOcc 0
33 mol 238 unq 3 iso 0 dist 5.33462 8.89538 7.22173 7.98022 5.96552 13.0839 10.4286 11.8665 7.2766 16.5748 numMergedOcc 0
34 mol 258 unq 0 iso 0 dist 6.08181 9.67877 5.09738 8.81059 13.8694 17.2075 13.6436 10.1492 6.49982 21.9033 numMergedOcc 0
35 mol 258 unq 1 iso 0 dist 6.08181 9.67877 5.09738 9.12006 14.0402 18.4031 13.6436 10.1492 6.49982 22.7061 numMergedOcc 0
36 mol 258 unq 2 iso 0 dist 7.70189 9.67877 10.4667 8.81059 9.22664 17.2075 13.6436 15.2899 6.49982 21.9033 numMergedOcc 0
37 mol 258 unq 3 iso 0 dist 7.70189 9.67877 10.4667 9.12006 13.0489 18.4031 13.6436 15.2899 6.49982 22.7061 numMergedOcc 0
38 mol 272 unq 0 iso 0 dist 7.50321 4.78812 5.96981 6.62923 7.55961 5.40809 6.99865 12.5113 6.73206 9.09992 numMergedOcc 0
39 mol 272 unq 1 iso 0 dist 7.50321 6.62923 7.55961 4.78812 5.96981 5.40809 6.99865 12.5113 9.09992 6.73206 numMergedOcc 0
40 mol 272 unq 2 iso 0 dist 7.50321 6.62923 7.55961 4.78812 5.96981 5.40809 10.3424 13.6844 6.16449 10.1966 numMergedOcc 0
41 mol 272 unq 3 iso 0 dist 9.61597 4.78812 6.76845 6.62923 5.43733 5.40809 6.99865 12.8442 6.73206 9.09992 numMergedOcc 0
42 mol 272 unq 4 iso 0 dist 9.61597 6.62923 5.43733 4.78812 6.76845 5.40809 6.99865 12.8442 9.09992 6.73206 numMergedOcc 0
43 mol 272 unq 5 iso 0 dist 9.61597 6.62923 5.43733 4.78812 6.76845 5.40809 10.3424 11.1067 6.16449 10.1966 numMergedOcc 0
44 mol 276 unq 0 iso 0 dist 8.14494 5.30976 9.95911 8.28881 12.431 8.56707 10.4141 17.9035 8.76347 12.4317 numMergedOcc 0
45 mol 282 unq 0 iso 0 dist 7.93511 9.51581 5.04235 6.84554 4.58403 4.66602 10.8603 10.0733 7.32347 10.4802 numMergedOcc 0
