0 mol 6 unq 0 iso 0 dist 8.31647 5.31617 8.07987 11.71 7.04508 7.96137 numMergedOcc 0
1 mol 69 unq 0 iso 0 dist 7.03224 8.63814 8.77132 14.1843 10.4187 7.40437 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 7.57394 10.3439 9.74248 13.4797 7.4182 9.81554 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 7.70612 5.00872 6.40964 8.01266 4.51052 7.87729 numMergedOcc 0
4 mol 109 unq 0 iso 0 dist 8.53914 5.02505 8.71813 11.4588 4.37072 9.67274 numMergedOcc 0
5 mol 162 unq 0 iso 0 dist 9.96586 13.9849 8.6792 16.5633 7.05221 9.56342 numMergedOcc 0
6 mol 162 unq 1 iso 0 dist 7.30751 7.2417 8.6792 12.3704 7.05221 9.56342 numMergedOcc 0
7 mol 186 unq 0 iso 0 dist 7.91838 10.3155 8.16906 10.3004 3.87593 8.46395 numMergedOcc 0
8 mol 186 unq 1 iso 0 dist 7.91838 12.2394 9.14238 10.3004 3.87593 6.08596 numMergedOcc 0
9 mol 210 unq 0 iso 0 dist 8.05949 4.60996 8.37216 7.95917 4.68656 9.0259 numMergedOcc 0
10 mol 210 unq 1 iso 0 dist 8.05949 13.0196 5.6524 14.4428 7.85817 8.83523 numMergedOcc 0
11 mol 214 unq 0 iso 0 dist 7.82201 12.7796 9.20514 12.6344 6.3474 6.20118 numMergedOcc 0
12 mol 214 unq 1 iso 0 dist 5.86911 9.28162 9.20514 9.834 6.3474 6.20118 numMergedOcc 0
13 mol 220 unq 0 iso 0 dist 6.39087 8.88074 7.4083 13.0318 10.9213 5.37154 numMergedOcc 0
14 mol 220 unq 1 iso 0 dist 9.86144 7.46247 7.4083 12.4653 10.9213 5.37154 numMergedOcc 0
15 mol 223 unq 0 iso 0 dist 6.97426 7.84356 8.51763 10.9019 4.62342 8.95054 numMergedOcc 0
16 mol 223 unq 1 iso 0 dist 8.87456 7.84356 5.57309 10.9019 3.38678 8.95054 numMergedOcc 0
17 mol 230 unq 0 iso 0 dist 9.24729 5.02022 6.86851 8.01593 3.86973 6.31092 numMergedOcc 0
18 mol 255 unq 0 iso 0 dist 9.40767 11.6603 6.60415 15.9577 10.2353 8.56885 numMergedOcc 0
19 mol 255 unq 1 iso 0 dist 9.40767 11.6603 6.60415 15.5088 7.18355 5.54361 numMergedOcc 0
20 mol 255 unq 2 iso 0 dist 9.40767 11.6603 6.60415 13.8557 10.1167 7.73503 numMergedOcc 0
21 mol 257 unq 0 iso 0 dist 8.09912 11.0953 9.51692 8.23073 3.67174 6.11157 numMergedOcc 0
22 mol 257 unq 1 iso 0 dist 8.09912 11.0953 9.51692 11.9032 4.76602 8.97744 numMergedOcc 0
