0 mol 39 unq 0 iso 0 dist 7.99016 8.55553 5.84083 5.00813 6.92307 7.67651 numMergedOcc 0
1 mol 39 unq 0 iso 1 dist 7.99016 5.00813 6.92307 8.55553 5.84083 7.67651 numMergedOcc 0
2 mol 39 unq 1 iso 0 dist 6.41793 8.55553 5.16873 5.00813 7.52517 7.67651 numMergedOcc 0
3 mol 39 unq 1 iso 1 dist 6.41793 5.00813 7.52517 8.55553 5.16873 7.67651 numMergedOcc 0
4 mol 39 unq 2 iso 0 dist 6.50101 8.55553 3.08793 5.00813 4.6056 7.67651 numMergedOcc 0
5 mol 39 unq 2 iso 1 dist 6.50101 5.00813 4.6056 8.55553 3.08793 7.67651 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 9.80137 5.54554 10.9307 6.84514 16.0168 8.33924 numMergedOcc 0
7 mol 48 unq 0 iso 1 dist 9.80137 6.84514 16.0168 5.54554 10.9307 8.33924 numMergedOcc 0
8 mol 48 unq 1 iso 0 dist 9.80137 5.54554 10.9307 8.95402 11.0434 6.91279 numMergedOcc 0
9 mol 48 unq 1 iso 1 dist 9.80137 8.95402 11.0434 5.54554 10.9307 6.91279 numMergedOcc 0
10 mol 48 unq 1 iso 0 dist 9.80137 6.84514 16.0168 8.95402 11.0434 10.0905 numMergedOcc 0
11 mol 48 unq 1 iso 1 dist 9.80137 8.95402 11.0434 6.84514 16.0168 10.0905 numMergedOcc 0
12 mol 48 unq 2 iso 0 dist 8.34893 5.54554 10.9184 6.84514 14.9962 8.33924 numMergedOcc 0
13 mol 48 unq 2 iso 1 dist 8.34893 6.84514 14.9962 5.54554 10.9184 8.33924 numMergedOcc 0
14 mol 48 unq 3 iso 0 dist 8.34893 5.54554 10.9184 8.95402 12.4168 6.91279 numMergedOcc 0
15 mol 48 unq 3 iso 1 dist 8.34893 8.95402 12.4168 5.54554 10.9184 6.91279 numMergedOcc 0
16 mol 48 unq 3 iso 0 dist 8.34893 6.84514 14.9962 8.95402 12.4168 10.0905 numMergedOcc 0
17 mol 48 unq 3 iso 1 dist 8.34893 8.95402 12.4168 6.84514 14.9962 10.0905 numMergedOcc 0
18 mol 48 unq 4 iso 0 dist 9.85865 5.5232 11.1315 7.05619 16.1553 8.45701 numMergedOcc 0
19 mol 48 unq 4 iso 1 dist 9.85865 7.05619 16.1553 5.5232 11.1315 8.45701 numMergedOcc 0
20 mol 48 unq 5 iso 0 dist 8.74946 5.5232 11.3739 7.05619 15.5559 8.45701 numMergedOcc 0
21 mol 48 unq 5 iso 1 dist 8.74946 7.05619 15.5559 5.5232 11.3739 8.45701 numMergedOcc 0
22 mol 73 unq 0 iso 0 dist 7.69861 8.59337 9.21869 7.66942 6.06973 8.86418 numMergedOcc 0
23 mol 73 unq 0 iso 1 dist 7.69861 7.66942 6.06973 8.59337 9.21869 8.86418 numMergedOcc 0
24 mol 93 unq 0 iso 0 dist 6.18348 6.25522 5.31693 7.87145 3.09636 5.02964 numMergedOcc 0
25 mol 93 unq 0 iso 1 dist 6.18348 7.87145 3.09636 6.25522 5.31693 5.02964 numMergedOcc 0
26 mol 93 unq 1 iso 0 dist 6.18348 6.25522 5.31693 9.30914 3.7348 8.84051 numMergedOcc 0
27 mol 93 unq 1 iso 1 dist 6.18348 9.30914 3.7348 6.25522 5.31693 8.84051 numMergedOcc 0
28 mol 93 unq 1 iso 0 dist 6.18348 7.87145 3.09636 9.30914 3.7348 5.30633 numMergedOcc 0
29 mol 93 unq 1 iso 1 dist 6.18348 9.30914 3.7348 7.87145 3.09636 5.30633 numMergedOcc 0
30 mol 128 unq 0 iso 0 dist 9.12084 7.12765 3.58393 6.28471 7.73275 4.97239 numMergedOcc 0
31 mol 128 unq 0 iso 1 dist 9.12084 6.28471 7.73275 7.12765 3.58393 4.97239 numMergedOcc 0
32 mol 141 unq 0 iso 0 dist 6.99125 5.4206 3.37046 9.56763 8.30017 5.71798 numMergedOcc 0
33 mol 141 unq 0 iso 1 dist 6.99125 9.56763 8.30017 5.4206 3.37046 5.71798 numMergedOcc 0
34 mol 143 unq 0 iso 0 dist 7.16698 8.56866 3.37746 5.66207 8.92479 10.0717 numMergedOcc 0
35 mol 143 unq 0 iso 1 dist 7.16698 5.66207 8.92479 8.56866 3.37746 10.0717 numMergedOcc 0
36 mol 143 unq 1 iso 0 dist 8.68663 8.56866 8.45583 5.66207 5.94217 10.0717 numMergedOcc 0
37 mol 143 unq 1 iso 1 dist 8.68663 5.66207 5.94217 8.56866 8.45583 10.0717 numMergedOcc 0
38 mol 147 unq 0 iso 0 dist 9.43989 7.19893 15.2813 6.37938 14.3635 5.61172 numMergedOcc 0
39 mol 147 unq 0 iso 1 dist 9.43989 6.37938 14.3635 7.19893 15.2813 5.61172 numMergedOcc 0
40 mol 152 unq 0 iso 0 dist 6.09987 5.42715 6.15601 9.70575 12.1717 6.01609 numMergedOcc 0
41 mol 152 unq 0 iso 1 dist 6.09987 9.70575 12.1717 5.42715 6.15601 6.01609 numMergedOcc 0
42 mol 182 unq 0 iso 0 dist 7.88014 8.62437 10.0832 7.07405 5.19107 6.78442 numMergedOcc 0
43 mol 182 unq 0 iso 1 dist 7.88014 7.07405 5.19107 8.62437 10.0832 6.78442 numMergedOcc 0
44 mol 186 unq 0 iso 0 dist 8.17226 7.88501 4.46688 9.09585 4.9849 7.59605 numMergedOcc 0
45 mol 186 unq 0 iso 1 dist 8.17226 9.09585 4.9849 7.88501 4.46688 7.59605 numMergedOcc 0
46 mol 218 unq 0 iso 0 dist 8.04838 6.62738 9.10705 7.13254 8.25033 5.51725 numMergedOcc 0
47 mol 218 unq 0 iso 1 dist 8.04838 7.13254 8.25033 6.62738 9.10705 5.51725 numMergedOcc 0
48 mol 250 unq 0 iso 0 dist 7.22664 7.5999 3.18526 9.50976 4.97183 8.07034 numMergedOcc 0
49 mol 250 unq 0 iso 1 dist 7.22664 9.50976 4.97183 7.5999 3.18526 8.07034 numMergedOcc 0
50 mol 250 unq 1 iso 0 dist 7.15762 7.5999 9.28743 9.50976 6.00379 8.07034 numMergedOcc 0
51 mol 250 unq 1 iso 1 dist 7.15762 9.50976 6.00379 7.5999 9.28743 8.07034 numMergedOcc 0
52 mol 252 unq 0 iso 0 dist 8.19529 9.76731 14.7399 8.38599 9.50623 6.82915 numMergedOcc 0
53 mol 252 unq 0 iso 1 dist 8.19529 8.38599 9.50623 9.76731 14.7399 6.82915 numMergedOcc 0
54 mol 252 unq 1 iso 0 dist 6.45396 9.76731 10.4834 8.38599 4.73966 6.82915 numMergedOcc 0
55 mol 252 unq 1 iso 1 dist 6.45396 8.38599 4.73966 9.76731 10.4834 6.82915 numMergedOcc 0
