0 mol 24 unq 0 iso 0 dist 8.15652 8.56483 9.75636 8.23069 4.93188 8.70827 8.59466 9.24958 9.12854 12.3067 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 8.15652 8.56483 9.75636 8.59466 9.24958 9.12854 8.23069 4.93188 8.70827 12.3067 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 8.8533 8.69142 5.30297 10.1933 5.69955 10.177 11.9181 8.6385 7.36856 9.78225 numMergedOcc 0
3 mol 26 unq 0 iso 1 dist 8.8533 8.69142 5.30297 11.9181 8.6385 7.36856 10.1933 5.69955 10.177 9.78225 numMergedOcc 0
4 mol 26 unq 1 iso 0 dist 6.87744 8.43523 5.30297 10.4881 5.69955 10.177 10.4441 8.6385 7.36856 9.78225 numMergedOcc 0
5 mol 26 unq 1 iso 1 dist 6.87744 8.43523 5.30297 10.4441 8.6385 7.36856 10.4881 5.69955 10.177 9.78225 numMergedOcc 0
6 mol 30 unq 0 iso 0 dist 6.40398 5.71014 6.0015 10.9094 8.7817 12.4936 11.8694 7.55415 13.1016 5.26258 numMergedOcc 0
7 mol 30 unq 0 iso 1 dist 6.40398 5.71014 6.0015 11.8694 7.55415 13.1016 10.9094 8.7817 12.4936 5.26258 numMergedOcc 0
8 mol 65 unq 0 iso 0 dist 4.76226 9.23452 5.98589 4.8507 5.69971 10.5166 7.51615 9.83239 15.4092 9.20128 numMergedOcc 0
9 mol 65 unq 0 iso 1 dist 4.76226 9.23452 5.98589 7.51615 9.83239 15.4092 4.8507 5.69971 10.5166 9.20128 numMergedOcc 0
10 mol 65 unq 1 iso 0 dist 4.76226 9.23452 5.98589 4.8507 5.69971 10.5166 10.2999 8.37515 13.3283 10.2941 numMergedOcc 0
11 mol 65 unq 1 iso 1 dist 4.76226 9.23452 5.98589 10.2999 8.37515 13.3283 4.8507 5.69971 10.5166 10.2941 numMergedOcc 0
12 mol 65 unq 1 iso 0 dist 4.76226 9.23452 5.98589 7.51615 9.83239 15.4092 10.2999 8.37515 13.3283 8.06868 numMergedOcc 0
13 mol 65 unq 1 iso 1 dist 4.76226 9.23452 5.98589 10.2999 8.37515 13.3283 7.51615 9.83239 15.4092 8.06868 numMergedOcc 0
14 mol 65 unq 2 iso 0 dist 4.76226 8.21365 7.25966 4.8507 5.69971 12.0795 7.51615 9.83239 12.3692 9.20128 numMergedOcc 0
15 mol 65 unq 2 iso 1 dist 4.76226 8.21365 7.25966 7.51615 9.83239 12.3692 4.8507 5.69971 12.0795 9.20128 numMergedOcc 0
16 mol 65 unq 3 iso 0 dist 4.76226 8.21365 7.25966 4.8507 5.69971 12.0795 10.2999 8.37515 12.2326 10.2941 numMergedOcc 0
17 mol 65 unq 3 iso 1 dist 4.76226 8.21365 7.25966 10.2999 8.37515 12.2326 4.8507 5.69971 12.0795 10.2941 numMergedOcc 0
18 mol 65 unq 3 iso 0 dist 4.76226 8.21365 7.25966 7.51615 9.83239 12.3692 10.2999 8.37515 12.2326 8.06868 numMergedOcc 0
19 mol 65 unq 3 iso 1 dist 4.76226 8.21365 7.25966 10.2999 8.37515 12.2326 7.51615 9.83239 12.3692 8.06868 numMergedOcc 0
20 mol 70 unq 0 iso 0 dist 9.33262 5.76805 8.75516 9.9009 9.31969 11.6081 9.66495 6.54023 12.0246 5.22626 numMergedOcc 0
21 mol 70 unq 0 iso 1 dist 9.33262 5.76805 8.75516 9.66495 6.54023 12.0246 9.9009 9.31969 11.6081 5.22626 numMergedOcc 0
22 mol 70 unq 1 iso 0 dist 4.67358 6.13606 8.68801 9.17087 9.31969 13.1203 5.33532 6.54023 10.9151 5.22626 numMergedOcc 0
23 mol 70 unq 1 iso 1 dist 4.67358 6.13606 8.68801 5.33532 6.54023 10.9151 9.17087 9.31969 13.1203 5.22626 numMergedOcc 0
24 mol 112 unq 0 iso 0 dist 5.9819 8.65004 5.91698 4.9102 6.43433 11.5768 6.84034 9.92283 14.3677 5.0812 numMergedOcc 0
25 mol 112 unq 0 iso 1 dist 5.9819 8.65004 5.91698 6.84034 9.92283 14.3677 4.9102 6.43433 11.5768 5.0812 numMergedOcc 0
26 mol 112 unq 1 iso 0 dist 5.9819 9.86487 15.0784 4.9102 6.43433 12.9739 6.84034 9.92283 10.1861 5.0812 numMergedOcc 0
27 mol 112 unq 1 iso 1 dist 5.9819 9.86487 15.0784 6.84034 9.92283 10.1861 4.9102 6.43433 12.9739 5.0812 numMergedOcc 0
28 mol 195 unq 0 iso 0 dist 8.22643 5.0778 6.74112 4.98231 6.60567 6.95086 13.577 7.62942 14.0524 10.7531 numMergedOcc 0
29 mol 195 unq 0 iso 1 dist 8.22643 5.0778 6.74112 13.577 7.62942 14.0524 4.98231 6.60567 6.95086 10.7531 numMergedOcc 0
30 mol 198 unq 0 iso 0 dist 5.33789 6.73371 9.86517 9.81415 9.18635 16.2739 5.21925 8.10985 6.34616 11.6493 numMergedOcc 0
31 mol 198 unq 0 iso 1 dist 5.33789 6.73371 9.86517 5.21925 8.10985 6.34616 9.81415 9.18635 16.2739 11.6493 numMergedOcc 0
32 mol 230 unq 0 iso 0 dist 6.47064 5.75445 6.0456 10.7614 9.09271 12.7167 11.777 7.44838 13.0012 5.53477 numMergedOcc 0
33 mol 230 unq 0 iso 1 dist 6.47064 5.75445 6.0456 11.777 7.44838 13.0012 10.7614 9.09271 12.7167 5.53477 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 5.5826 8.85202 6.84212 11.1632 6.66971 10.784 11.0996 6.4398 12.2731 5.40359 numMergedOcc 0
35 mol 238 unq 0 iso 1 dist 5.5826 8.85202 6.84212 11.0996 6.4398 12.2731 11.1632 6.66971 10.784 5.40359 numMergedOcc 0
36 mol 238 unq 1 iso 0 dist 5.5826 8.85202 6.84212 11.1632 6.66971 10.784 5.18833 7.32982 12.6066 10.0191 numMergedOcc 0
37 mol 238 unq 1 iso 1 dist 5.5826 8.85202 6.84212 5.18833 7.32982 12.6066 11.1632 6.66971 10.784 10.0191 numMergedOcc 0
38 mol 238 unq 1 iso 0 dist 5.5826 8.85202 6.84212 11.0996 6.4398 12.2731 5.18833 7.32982 12.6066 10.1648 numMergedOcc 0
39 mol 238 unq 1 iso 1 dist 5.5826 8.85202 6.84212 5.18833 7.32982 12.6066 11.0996 6.4398 12.2731 10.1648 numMergedOcc 0
40 mol 238 unq 2 iso 0 dist 5.5826 6.97527 4.77308 11.1632 6.66971 7.57812 11.0996 6.4398 10.1217 5.40359 numMergedOcc 0
41 mol 238 unq 2 iso 1 dist 5.5826 6.97527 4.77308 11.0996 6.4398 10.1217 11.1632 6.66971 7.57812 5.40359 numMergedOcc 0
42 mol 238 unq 3 iso 0 dist 5.5826 6.97527 4.77308 11.1632 6.66971 7.57812 5.18833 7.32982 9.24557 10.0191 numMergedOcc 0
43 mol 238 unq 3 iso 1 dist 5.5826 6.97527 4.77308 5.18833 7.32982 9.24557 11.1632 6.66971 7.57812 10.0191 numMergedOcc 0
44 mol 238 unq 3 iso 0 dist 5.5826 6.97527 4.77308 11.0996 6.4398 10.1217 5.18833 7.32982 9.24557 10.1648 numMergedOcc 0
45 mol 238 unq 3 iso 1 dist 5.5826 6.97527 4.77308 5.18833 7.32982 9.24557 11.0996 6.4398 10.1217 10.1648 numMergedOcc 0
46 mol 240 unq 0 iso 0 dist 5.46783 4.98994 8.23234 14.5429 9.47583 15.2806 13.8996 8.44909 15.9329 4.28414 numMergedOcc 0
47 mol 240 unq 0 iso 1 dist 5.46783 4.98994 8.23234 13.8996 8.44909 15.9329 14.5429 9.47583 15.2806 4.28414 numMergedOcc 0
