0 mol 24 unq 0 iso 0 dist 8.15652 13.3838 6.44893 8.23069 4.93188 9.67461 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.44893 13.3838 8.15652 9.67461 4.93188 8.23069 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.15652 13.3838 6.44893 8.59466 9.24958 14.0586 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 6.44893 13.3838 8.15652 14.0586 9.24958 8.59466 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.8533 15.4279 6.87744 10.1933 5.69955 10.4881 numMergedOcc 0
5 mol 26 unq 0 iso 1 dist 6.87744 15.4279 8.8533 10.4881 5.69955 10.1933 numMergedOcc 0
6 mol 26 unq 1 iso 0 dist 8.8533 15.4279 6.87744 11.9181 8.6385 10.4441 numMergedOcc 0
7 mol 26 unq 1 iso 1 dist 6.87744 15.4279 8.8533 10.4441 8.6385 11.9181 numMergedOcc 0
8 mol 70 unq 0 iso 0 dist 9.33262 12.6481 4.67358 9.9009 9.31969 9.17087 numMergedOcc 0
9 mol 70 unq 0 iso 1 dist 4.67358 12.6481 9.33262 9.17087 9.31969 9.9009 numMergedOcc 0
10 mol 70 unq 1 iso 0 dist 9.33262 12.6481 4.67358 9.66495 6.54023 5.33532 numMergedOcc 0
11 mol 70 unq 1 iso 1 dist 4.67358 12.6481 9.33262 5.33532 6.54023 9.66495 numMergedOcc 0
12 mol 124 unq 0 iso 0 dist 9.73469 7.04692 5.93793 5.39773 8.97264 8.07661 numMergedOcc 0
13 mol 124 unq 0 iso 1 dist 5.93793 7.04692 9.73469 8.07661 8.97264 5.39773 numMergedOcc 0
14 mol 124 unq 1 iso 0 dist 9.73469 7.04692 5.93793 9.93061 8.80896 8.29712 numMergedOcc 0
15 mol 124 unq 1 iso 1 dist 5.93793 7.04692 9.73469 8.29712 8.80896 9.93061 numMergedOcc 0
16 mol 188 unq 0 iso 0 dist 8.14959 5.99855 5.36962 11.4039 8.47347 6.184 numMergedOcc 0
17 mol 188 unq 0 iso 1 dist 5.36962 5.99855 8.14959 6.184 8.47347 11.4039 numMergedOcc 0
18 mol 198 unq 0 iso 0 dist 5.33789 6.60197 7.27215 9.81415 9.18635 6.05803 numMergedOcc 0
19 mol 198 unq 0 iso 1 dist 7.27215 6.60197 5.33789 6.05803 9.18635 9.81415 numMergedOcc 0
20 mol 198 unq 1 iso 0 dist 5.33789 6.60197 7.27215 5.21925 8.10985 10.854 numMergedOcc 0
21 mol 198 unq 1 iso 1 dist 7.27215 6.60197 5.33789 10.854 8.10985 5.21925 numMergedOcc 0
22 mol 220 unq 0 iso 0 dist 8.84133 4.95547 8.81001 12.0174 5.45036 9.89208 numMergedOcc 0
23 mol 220 unq 0 iso 1 dist 8.81001 4.95547 8.84133 9.89208 5.45036 12.0174 numMergedOcc 0
24 mol 229 unq 0 iso 0 dist 7.09453 7.10099 8.69109 9.84917 8.92743 15.4506 numMergedOcc 0
25 mol 229 unq 0 iso 1 dist 8.69109 7.10099 7.09453 15.4506 8.92743 9.84917 numMergedOcc 0
26 mol 229 unq 1 iso 0 dist 7.09453 7.10099 8.69109 6.89 8.08082 10.808 numMergedOcc 0
27 mol 229 unq 1 iso 1 dist 8.69109 7.10099 7.09453 10.808 8.08082 6.89 numMergedOcc 0
28 mol 229 unq 2 iso 0 dist 7.09453 7.10099 8.69109 9.68525 5.77318 11.9018 numMergedOcc 0
29 mol 229 unq 2 iso 1 dist 8.69109 7.10099 7.09453 11.9018 5.77318 9.68525 numMergedOcc 0
30 mol 229 unq 3 iso 0 dist 7.09453 7.10099 8.69109 10.7618 8.19603 5.93705 numMergedOcc 0
31 mol 229 unq 3 iso 1 dist 8.69109 7.10099 7.09453 5.93705 8.19603 10.7618 numMergedOcc 0
32 mol 248 unq 0 iso 0 dist 9.97871 4.72398 9.08064 5.8982 6.17052 7.63032 numMergedOcc 0
33 mol 248 unq 0 iso 1 dist 9.08064 4.72398 9.97871 7.63032 6.17052 5.8982 numMergedOcc 0
34 mol 248 unq 1 iso 0 dist 9.97871 4.72398 9.08064 6.17735 9.77666 6.42334 numMergedOcc 0
35 mol 248 unq 1 iso 1 dist 9.08064 4.72398 9.97871 6.42334 9.77666 6.17735 numMergedOcc 0
36 mol 252 unq 0 iso 0 dist 8.62351 14.4671 6.94319 6.79111 8.47784 11.8815 numMergedOcc 0
37 mol 252 unq 0 iso 1 dist 6.94319 14.4671 8.62351 11.8815 8.47784 6.79111 numMergedOcc 0
38 mol 252 unq 1 iso 0 dist 8.62351 14.4671 6.94319 14.2609 8.66469 5.29359 numMergedOcc 0
39 mol 252 unq 1 iso 1 dist 6.94319 14.4671 8.62351 5.29359 8.66469 14.2609 numMergedOcc 0
