0 mol 52 unq 0 iso 0 dist 9.87921 13.7407 8.76527 12.8073 8.65019 12.4805 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 5.94459 14.5129 9.48391 9.67231 8.80104 10.3036 numMergedOcc 0
2 mol 74 unq 0 iso 0 dist 6.2442 10.7353 9.60205 5.2745 4.79413 6.32526 numMergedOcc 0
3 mol 111 unq 0 iso 0 dist 6.90574 5.3644 4.86701 13.9086 7.92876 9.57451 numMergedOcc 0
4 mol 163 unq 0 iso 0 dist 8.74174 15.8319 8.67619 14.2403 8.21476 5.51913 numMergedOcc 0
5 mol 163 unq 1 iso 0 dist 8.74174 15.8319 8.67619 9.45801 7.66897 11.5521 numMergedOcc 0
6 mol 171 unq 0 iso 0 dist 9.95454 10.1518 6.27462 7.76433 5.73148 5.93464 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 6.59729 4.95637 9.03496 4.34714 9.59034 5.25258 numMergedOcc 0
8 mol 193 unq 0 iso 0 dist 9.19696 12.3823 7.46207 14.6915 8.76185 6.6036 numMergedOcc 0
9 mol 238 unq 0 iso 0 dist 5.5826 12.8697 9.28463 6.3161 9.42618 15.9901 numMergedOcc 0
10 mol 250 unq 0 iso 0 dist 9.26007 11.9969 9.84682 5.99898 8.70484 10.875 numMergedOcc 0
11 mol 250 unq 1 iso 0 dist 9.26007 6.96017 8.26719 5.99898 8.70484 6.39204 numMergedOcc 0
12 mol 252 unq 0 iso 0 dist 8.62351 4.43412 6.97105 7.02444 5.2361 5.3935 numMergedOcc 0
13 mol 252 unq 1 iso 0 dist 8.62351 4.43412 6.97105 13.7396 5.57515 11.142 numMergedOcc 0
14 mol 252 unq 2 iso 0 dist 8.62351 4.43412 6.97105 14.6186 8.28694 10.9527 numMergedOcc 0
15 mol 252 unq 3 iso 0 dist 6.94319 11.5831 6.97105 8.26489 5.2361 5.3935 numMergedOcc 0
16 mol 252 unq 4 iso 0 dist 6.94319 11.5831 6.97105 5.76518 5.57515 11.142 numMergedOcc 0
17 mol 252 unq 5 iso 0 dist 6.94319 11.5831 6.97105 7.48536 8.28694 10.9527 numMergedOcc 0
18 mol 278 unq 0 iso 0 dist 9.06043 10.6855 9.67619 5.38386 9.80746 6.87868 numMergedOcc 0
19 mol 278 unq 1 iso 0 dist 9.06043 10.6855 9.67619 7.70648 9.48589 10.7269 numMergedOcc 0
