0 mol 26 unq 0 iso 0 dist 7.2612 8.27488 14.8703 6.75443 6.38243 12.4378 numMergedOcc 0
1 mol 51 unq 0 iso 0 dist 8.75256 9.88093 6.84697 4.22382 7.40639 11.279 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 5.94459 7.51631 13.0221 4.60844 8.05514 8.19932 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 5.9819 6.79584 4.25001 10.5025 5.43933 9.24706 numMergedOcc 0
4 mol 112 unq 1 iso 0 dist 5.9819 6.79584 4.25001 9.50897 4.99604 5.92828 numMergedOcc 0
5 mol 112 unq 2 iso 0 dist 5.9819 6.79584 4.25001 13.6247 9.97483 14.0864 numMergedOcc 0
6 mol 112 unq 3 iso 0 dist 5.9819 6.79584 4.25001 4.9759 7.44041 10.3476 numMergedOcc 0
7 mol 128 unq 0 iso 0 dist 7.03633 9.00141 13.0042 9.31342 9.12084 18.2659 numMergedOcc 0
8 mol 128 unq 1 iso 0 dist 7.03633 4.26814 4.21194 9.31342 9.12084 10.88 numMergedOcc 0
9 mol 128 unq 2 iso 0 dist 7.90691 7.66528 4.21194 12.6206 9.12084 10.88 numMergedOcc 0
10 mol 158 unq 0 iso 0 dist 5.32135 7.37255 6.02991 6.72578 5.48379 6.77583 numMergedOcc 0
11 mol 195 unq 0 iso 0 dist 8.22643 9.33055 11.5264 9.54898 6.34234 10.4086 numMergedOcc 0
12 mol 195 unq 1 iso 0 dist 8.22643 9.33055 11.5264 11.5968 7.87972 18.2938 numMergedOcc 0
13 mol 198 unq 0 iso 0 dist 5.33789 5.84588 5.45278 10.2325 8.8864 13.4892 numMergedOcc 0
14 mol 198 unq 1 iso 0 dist 5.33789 5.84588 5.45278 8.89394 8.12201 10.6821 numMergedOcc 0
15 mol 198 unq 2 iso 0 dist 5.33789 5.84588 5.45278 4.91277 5.45162 9.18405 numMergedOcc 0
16 mol 198 unq 3 iso 0 dist 5.33789 9.36442 6.59269 10.2325 8.8864 15.3193 numMergedOcc 0
17 mol 198 unq 4 iso 0 dist 5.33789 9.36442 6.59269 8.89394 8.12201 13.3189 numMergedOcc 0
18 mol 198 unq 5 iso 0 dist 5.33789 9.36442 6.59269 4.91277 5.45162 11.7912 numMergedOcc 0
19 mol 207 unq 0 iso 0 dist 5.86317 9.064 5.62485 7.22657 8.78061 7.30153 numMergedOcc 0
20 mol 225 unq 0 iso 0 dist 6.06105 8.81424 8.38864 5.30128 9.57955 8.74463 numMergedOcc 0
21 mol 225 unq 1 iso 0 dist 6.06105 8.81424 8.38864 7.291 8.79277 13.862 numMergedOcc 0
22 mol 225 unq 2 iso 0 dist 6.06105 9.60949 11.1621 5.30128 9.57955 14.4516 numMergedOcc 0
23 mol 225 unq 3 iso 0 dist 6.06105 9.60949 11.1621 7.291 8.79277 15.1497 numMergedOcc 0
24 mol 260 unq 0 iso 0 dist 8.2776 5.33881 4.05076 9.31424 9.65775 9.73217 numMergedOcc 0
25 mol 260 unq 1 iso 0 dist 8.2776 5.33881 4.05076 10.8164 9.50634 7.49606 numMergedOcc 0
26 mol 264 unq 0 iso 0 dist 9.91954 6.26593 8.89888 10.6477 6.02757 9.87744 numMergedOcc 0
27 mol 264 unq 1 iso 0 dist 9.91954 6.26593 8.89888 10.998 8.67231 12.9889 numMergedOcc 0
