0 mol 26 unq 0 iso 0 dist 8.07937 13.6474 6.42206 13.3615 7.89667 3.63999 numMergedOcc 0
1 mol 26 unq 0 iso 1 dist 6.42206 13.6474 8.07937 3.63999 7.89667 13.3615 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.07937 16.8769 9.66602 13.3615 7.89667 13.5789 numMergedOcc 0
3 mol 26 unq 1 iso 1 dist 9.66602 16.8769 8.07937 13.5789 7.89667 13.3615 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 6.42206 10.1524 9.66602 3.63999 7.89667 13.5789 numMergedOcc 0
5 mol 26 unq 1 iso 1 dist 9.66602 10.1524 6.42206 13.5789 7.89667 3.63999 numMergedOcc 0
6 mol 93 unq 0 iso 0 dist 8.52947 10.1359 8.84466 10.8428 5.10693 13.6305 numMergedOcc 0
7 mol 93 unq 0 iso 1 dist 8.84466 10.1359 8.52947 13.6305 5.10693 10.8428 numMergedOcc 0
8 mol 93 unq 1 iso 0 dist 8.52947 10.1359 8.84466 12.1443 6.58814 14.1431 numMergedOcc 0
9 mol 93 unq 1 iso 1 dist 8.84466 10.1359 8.52947 14.1431 6.58814 12.1443 numMergedOcc 0
10 mol 93 unq 2 iso 0 dist 8.52947 10.1359 8.84466 6.46649 6.13459 3.99275 numMergedOcc 0
11 mol 93 unq 2 iso 1 dist 8.84466 10.1359 8.52947 3.99275 6.13459 6.46649 numMergedOcc 0
12 mol 93 unq 3 iso 0 dist 8.52947 10.1359 8.84466 7.18673 7.54391 6.46195 numMergedOcc 0
13 mol 93 unq 3 iso 1 dist 8.84466 10.1359 8.52947 6.46195 7.54391 7.18673 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 8.28452 11.2336 8.44004 3.7042 7.08403 12.5507 numMergedOcc 0
15 mol 113 unq 0 iso 1 dist 8.44004 11.2336 8.28452 12.5507 7.08403 3.7042 numMergedOcc 0
16 mol 141 unq 0 iso 0 dist 8.0302 4.21989 6.65051 3.48408 6.41183 5.71838 numMergedOcc 0
17 mol 141 unq 0 iso 1 dist 6.65051 4.21989 8.0302 5.71838 6.41183 3.48408 numMergedOcc 0
18 mol 141 unq 1 iso 0 dist 8.0302 8.75893 9.41519 3.48408 6.41183 10.616 numMergedOcc 0
19 mol 141 unq 1 iso 1 dist 9.41519 8.75893 8.0302 10.616 6.41183 3.48408 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 6.65051 4.95844 9.41519 5.71838 6.41183 10.616 numMergedOcc 0
21 mol 141 unq 1 iso 1 dist 9.41519 4.95844 6.65051 10.616 6.41183 5.71838 numMergedOcc 0
22 mol 152 unq 0 iso 0 dist 8.30966 7.21824 7.69136 10.7623 9.28062 5.63285 numMergedOcc 0
23 mol 152 unq 0 iso 1 dist 7.69136 7.21824 8.30966 5.63285 9.28062 10.7623 numMergedOcc 0
24 mol 183 unq 0 iso 0 dist 8.53483 10.3494 8.58404 13.7852 7.16035 11.9399 numMergedOcc 0
25 mol 183 unq 0 iso 1 dist 8.58404 10.3494 8.53483 11.9399 7.16035 13.7852 numMergedOcc 0
26 mol 183 unq 1 iso 0 dist 8.53483 10.3494 8.58404 9.09406 6.2675 9.29513 numMergedOcc 0
27 mol 183 unq 1 iso 1 dist 8.58404 10.3494 8.53483 9.29513 6.2675 9.09406 numMergedOcc 0
28 mol 196 unq 0 iso 0 dist 5.76319 4.62996 5.30132 5.97525 6.10505 4.22321 numMergedOcc 0
29 mol 196 unq 0 iso 1 dist 5.30132 4.62996 5.76319 4.22321 6.10505 5.97525 numMergedOcc 0
30 mol 196 unq 1 iso 0 dist 5.76319 5.81158 8.36119 5.97525 6.10505 10.866 numMergedOcc 0
31 mol 196 unq 1 iso 1 dist 8.36119 5.81158 5.76319 10.866 6.10505 5.97525 numMergedOcc 0
32 mol 196 unq 1 iso 0 dist 5.30132 10.1053 8.36119 4.22321 6.10505 10.866 numMergedOcc 0
33 mol 196 unq 1 iso 1 dist 8.36119 10.1053 5.30132 10.866 6.10505 4.22321 numMergedOcc 0
34 mol 241 unq 0 iso 0 dist 7.79013 12.5546 9.33399 11.3639 8.49869 6.51662 numMergedOcc 0
35 mol 241 unq 0 iso 1 dist 9.33399 12.5546 7.79013 6.51662 8.49869 11.3639 numMergedOcc 0
36 mol 247 unq 0 iso 0 dist 8.72346 13.6089 7.39069 9.41036 4.78189 11.1225 numMergedOcc 0
37 mol 247 unq 0 iso 1 dist 7.39069 13.6089 8.72346 11.1225 4.78189 9.41036 numMergedOcc 0
38 mol 265 unq 0 iso 0 dist 8.09021 7.24033 6.98451 3.5393 5.8898 3.99477 numMergedOcc 0
39 mol 265 unq 0 iso 1 dist 6.98451 7.24033 8.09021 3.99477 5.8898 3.5393 numMergedOcc 0
