0 mol 24 unq 0 iso 0 dist 8.15652 8.23069 4.93188 8.59466 9.24958 12.3067 8.56483 9.75636 8.70827 9.12854 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 8.15652 8.23069 4.93188 8.59466 9.24958 12.3067 13.3777 10.0715 6.73939 18.673 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.15652 8.59466 9.24958 8.23069 4.93188 12.3067 8.56483 9.75636 9.12854 8.70827 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.44893 9.67461 4.93188 14.0586 9.24958 12.3067 16.1592 9.75636 8.70827 9.12854 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 6.44893 9.67461 4.93188 14.0586 9.24958 12.3067 10.9795 10.0715 6.73939 18.673 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 6.44893 14.0586 9.24958 9.67461 4.93188 12.3067 16.1592 9.75636 9.12854 8.70827 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 8.8533 11.9181 8.6385 10.1933 5.69955 9.78225 8.69142 5.30297 7.36856 10.177 numMergedOcc 0
7 mol 26 unq 1 iso 0 dist 6.87744 10.4441 8.6385 10.4881 5.69955 9.78225 8.43523 5.30297 7.36856 10.177 numMergedOcc 0
8 mol 65 unq 0 iso 0 dist 4.76226 4.8507 5.69971 7.51615 9.83239 9.20128 10.0483 6.00418 7.90294 13.1118 numMergedOcc 0
9 mol 65 unq 1 iso 0 dist 4.76226 4.8507 5.69971 10.2999 8.37515 10.2941 10.0483 6.00418 7.90294 8.22785 numMergedOcc 0
10 mol 65 unq 2 iso 0 dist 4.76226 10.2999 8.37515 4.8507 5.69971 10.2941 11.5113 7.18126 6.76508 11.5413 numMergedOcc 0
11 mol 65 unq 3 iso 0 dist 4.76226 10.2999 8.37515 4.8507 5.69971 10.2941 10.0483 6.00418 8.22785 7.90294 numMergedOcc 0
12 mol 65 unq 4 iso 0 dist 4.76226 10.2999 8.37515 7.51615 9.83239 8.06868 11.5113 7.18126 6.76508 13.2643 numMergedOcc 0
13 mol 65 unq 5 iso 0 dist 4.76226 10.2999 8.37515 7.51615 9.83239 8.06868 10.0483 6.00418 8.22785 13.1118 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 9.17137 12.602 5.88354 14.9745 7.89665 4.50554 12.8391 8.53212 5.59328 10.0186 numMergedOcc 0
15 mol 98 unq 1 iso 0 dist 9.17137 12.602 5.88354 6.80307 5.39354 7.40461 12.8391 8.53212 5.59328 10.3766 numMergedOcc 0
16 mol 98 unq 2 iso 0 dist 9.17137 12.602 5.88354 5.37332 5.74854 7.72877 12.8391 8.53212 5.59328 7.5242 numMergedOcc 0
17 mol 98 unq 3 iso 0 dist 9.17137 12.602 5.88354 12.921 8.76566 10.51 12.8391 8.53212 5.59328 15.4911 numMergedOcc 0
18 mol 98 unq 4 iso 0 dist 9.17137 12.602 5.88354 10.4811 8.8368 13.5683 12.8391 8.53212 5.59328 17.0991 numMergedOcc 0
19 mol 98 unq 5 iso 0 dist 9.17137 5.37332 5.74854 12.602 5.88354 7.72877 12.8391 8.53212 7.5242 5.59328 numMergedOcc 0
20 mol 98 unq 6 iso 0 dist 9.17137 5.37332 5.74854 14.9745 7.89665 11.0242 12.8391 8.53212 7.5242 10.0186 numMergedOcc 0
21 mol 98 unq 7 iso 0 dist 9.17137 5.37332 5.74854 6.80307 5.39354 5.09649 12.8391 8.53212 7.5242 10.3766 numMergedOcc 0
22 mol 98 unq 8 iso 0 dist 9.17137 5.37332 5.74854 12.921 8.76566 11.9511 12.8391 8.53212 7.5242 15.4911 numMergedOcc 0
23 mol 98 unq 9 iso 0 dist 9.17137 5.37332 5.74854 10.4811 8.8368 11.569 12.8391 8.53212 7.5242 17.0991 numMergedOcc 0
24 mol 171 unq 0 iso 0 dist 9.95454 6.5015 7.71426 6.1522 5.10618 7.31409 11.0752 6.29877 5.93786 8.24693 numMergedOcc 0
25 mol 171 unq 1 iso 0 dist 9.95454 6.5015 7.71426 6.1522 5.10618 7.31409 11.1125 5.90358 8.1344 6.71356 numMergedOcc 0
26 mol 171 unq 2 iso 0 dist 9.95454 6.5015 7.71426 16.1675 9.86681 13.6814 11.0752 6.29877 5.93786 13.8551 numMergedOcc 0
27 mol 171 unq 3 iso 0 dist 9.95454 6.5015 7.71426 16.1675 9.86681 13.6814 11.1125 5.90358 8.1344 15.2816 numMergedOcc 0
28 mol 171 unq 4 iso 0 dist 9.95454 6.1522 5.10618 6.5015 7.71426 7.31409 11.0752 6.29877 8.24693 5.93786 numMergedOcc 0
29 mol 171 unq 5 iso 0 dist 9.95454 6.1522 5.10618 6.5015 7.71426 7.31409 11.1125 5.90358 6.71356 8.1344 numMergedOcc 0
30 mol 171 unq 6 iso 0 dist 9.95454 6.1522 5.10618 16.1675 9.86681 13.7214 11.0752 6.29877 8.24693 13.8551 numMergedOcc 0
31 mol 171 unq 7 iso 0 dist 9.95454 6.1522 5.10618 16.1675 9.86681 13.7214 11.1125 5.90358 6.71356 15.2816 numMergedOcc 0
32 mol 195 unq 0 iso 0 dist 8.22643 4.98231 6.60567 13.577 7.62942 10.7531 11.3628 6.0634 7.36683 9.26504 numMergedOcc 0
33 mol 195 unq 1 iso 0 dist 8.22643 4.98231 6.60567 13.577 7.62942 10.7531 5.0778 6.74112 6.95086 14.0524 numMergedOcc 0
34 mol 195 unq 2 iso 0 dist 8.22643 13.577 7.62942 4.98231 6.60567 10.7531 11.3628 6.0634 9.26504 7.36683 numMergedOcc 0
35 mol 198 unq 0 iso 0 dist 5.33789 5.21925 8.10985 9.81415 9.18635 11.6493 6.73371 9.86517 6.34616 16.2739 numMergedOcc 0
36 mol 198 unq 1 iso 0 dist 7.27215 10.854 8.10985 6.05803 9.18635 11.6493 13.2061 9.86517 6.34616 16.2739 numMergedOcc 0
37 mol 205 unq 0 iso 0 dist 9.88251 13.9684 5.60393 14.4147 8.44861 7.38516 17.3323 8.46033 5.44002 12.3113 numMergedOcc 0
38 mol 238 unq 0 iso 0 dist 5.5826 11.1632 6.66971 11.0996 6.4398 5.40359 6.97527 4.77308 7.57812 10.1217 numMergedOcc 0
39 mol 238 unq 1 iso 0 dist 5.5826 11.1632 6.66971 11.0996 6.4398 5.40359 12.3648 10.2777 8.69104 13.492 numMergedOcc 0
40 mol 238 unq 2 iso 0 dist 5.5826 11.1632 6.66971 5.18833 7.32982 10.0191 6.97527 4.77308 7.57812 9.24557 numMergedOcc 0
41 mol 238 unq 3 iso 0 dist 5.5826 11.1632 6.66971 5.18833 7.32982 10.0191 12.3648 10.2777 8.69104 12.9364 numMergedOcc 0
42 mol 238 unq 4 iso 0 dist 5.5826 5.18833 7.32982 11.1632 6.66971 10.0191 6.97527 4.77308 9.24557 7.57812 numMergedOcc 0
43 mol 238 unq 5 iso 0 dist 5.5826 5.18833 7.32982 11.0996 6.4398 10.1648 6.97527 4.77308 9.24557 10.1217 numMergedOcc 0
44 mol 240 unq 0 iso 0 dist 5.46783 14.5429 9.47583 13.8996 8.44909 4.28414 20.0621 15.5587 6.68687 10.5594 numMergedOcc 0
45 mol 278 unq 0 iso 0 dist 9.03362 12.6489 7.67245 14.7348 9.12395 5.74345 17.0591 13.537 6.62841 11.3027 numMergedOcc 0
