0 mol 30 unq 0 iso 0 dist 6.40398 7.92586 12.0238 10.1033 8.58568 15.1098 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 8.72742 9.66932 4.06864 15.3125 6.93364 9.25424 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 8.72742 9.66932 4.06864 12.762 6.34821 10.1225 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 5.94459 7.51631 13.0221 9.67231 8.80104 12.0508 numMergedOcc 0
4 mol 111 unq 0 iso 0 dist 6.90574 9.83758 4.26808 13.9086 7.92876 9.56723 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 5.9819 6.79584 4.25001 10.4394 7.82011 9.81737 numMergedOcc 0
6 mol 128 unq 0 iso 0 dist 8.83011 7.66528 9.46982 5.21787 9.89462 11.8453 numMergedOcc 0
7 mol 130 unq 0 iso 0 dist 9.36312 6.90456 3.91348 9.17181 7.62145 7.92317 numMergedOcc 0
8 mol 158 unq 0 iso 0 dist 5.32135 7.37255 6.02991 5.65278 7.35329 10.8611 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 6.59729 8.86574 9.42515 4.34714 9.59034 12.0223 numMergedOcc 0
10 mol 189 unq 0 iso 0 dist 9.5853 8.49359 8.73039 14.9891 9.6013 17.9409 numMergedOcc 0
11 mol 189 unq 1 iso 0 dist 9.5853 8.49359 8.73039 15.4181 8.32712 16.8798 numMergedOcc 0
12 mol 195 unq 0 iso 0 dist 8.22643 9.33055 11.5264 14.4982 9.79691 19.9724 numMergedOcc 0
13 mol 198 unq 0 iso 0 dist 5.33789 5.84588 5.45278 11.3414 8.15936 13.4578 numMergedOcc 0
14 mol 198 unq 1 iso 0 dist 5.33789 5.84588 5.45278 11.6406 8.16598 12.2324 numMergedOcc 0
15 mol 198 unq 2 iso 0 dist 5.33789 9.36442 6.59269 11.3414 8.15936 14.0544 numMergedOcc 0
16 mol 198 unq 3 iso 0 dist 5.33789 9.36442 6.59269 11.6406 8.16598 13.061 numMergedOcc 0
17 mol 230 unq 0 iso 0 dist 6.47064 8.32382 12.1428 10.353 8.85215 15.453 numMergedOcc 0
18 mol 248 unq 0 iso 0 dist 9.97871 8.28099 4.91893 10.6288 8.53148 10.7209 numMergedOcc 0
19 mol 248 unq 1 iso 0 dist 9.08064 5.76741 4.91893 10.2858 8.53148 10.7209 numMergedOcc 0
20 mol 261 unq 0 iso 0 dist 5.67349 8.55479 11.1232 9.66751 9.24121 12.8776 numMergedOcc 0
