0 mol 16 unq 0 iso 0 dist 8.47315 12.1062 6.72833 12.2105 6.86055 5.94982 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 8.33883 10.2885 6.93532 11.3479 5.01101 5.94982 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.90845 14.9821 8.60554 19.1964 14.8647 6.61696 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.90845 14.9821 8.60554 10.1898 5.11636 5.80953 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 9.90845 13.0288 8.44664 9.03541 4.79736 9.98592 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 9.90845 18.8056 9.44691 23.3461 14.4081 9.586 numMergedOcc 0
6 mol 58 unq 0 iso 0 dist 7.84983 6.64072 5.93884 8.63912 4.23671 9.53438 numMergedOcc 0
7 mol 58 unq 1 iso 0 dist 9.56737 6.64072 7.68678 8.63912 5.6823 9.53438 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 6.89722 11.5412 9.24757 9.71578 6.20232 8.96616 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 6.89722 11.5412 9.24757 10.1662 5.70116 6.14542 numMergedOcc 0
10 mol 73 unq 2 iso 0 dist 7.26679 11.2253 9.24757 12.3622 6.20232 8.96616 numMergedOcc 0
11 mol 73 unq 3 iso 0 dist 7.26679 11.2253 9.24757 11.4233 5.70116 6.14542 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 6.49205 6.25204 8.00003 11.2742 9.85023 6.18678 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 6.11955 4.7146 5.87634 10.271 13.7612 8.83732 numMergedOcc 0
14 mol 135 unq 0 iso 0 dist 6.5228 5.14857 5.62052 10.4722 8.50814 7.28318 numMergedOcc 0
15 mol 135 unq 1 iso 0 dist 6.5228 5.26692 7.90563 10.4722 8.50814 7.17599 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 7.44191 6.70394 6.46704 12.8989 6.28125 9.06571 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 7.44191 6.70394 6.46704 11.3022 6.50233 7.35884 numMergedOcc 0
18 mol 181 unq 2 iso 0 dist 7.44191 11.2787 6.59025 12.8989 6.28125 9.88897 numMergedOcc 0
19 mol 181 unq 3 iso 0 dist 6.00053 10.8517 6.46704 11.558 6.28125 9.06571 numMergedOcc 0
20 mol 181 unq 4 iso 0 dist 6.00053 10.8517 6.46704 12.4544 6.50233 7.35884 numMergedOcc 0
21 mol 181 unq 5 iso 0 dist 6.00053 5.87168 6.59025 11.558 6.28125 9.88897 numMergedOcc 0
22 mol 188 unq 0 iso 0 dist 9.24118 10.9086 7.14503 17.3968 9.71636 8.66624 numMergedOcc 0
23 mol 194 unq 0 iso 0 dist 7.32478 5.35575 8.29382 10.4064 5.97754 8.64056 numMergedOcc 0
24 mol 194 unq 1 iso 0 dist 7.32478 7.75447 6.72379 11.7627 4.66791 9.00322 numMergedOcc 0
25 mol 194 unq 2 iso 0 dist 9.48439 7.25062 8.29382 13.5063 5.97754 8.64056 numMergedOcc 0
26 mol 194 unq 3 iso 0 dist 9.48439 6.38935 6.72379 13.5824 4.66791 9.00322 numMergedOcc 0
27 mol 227 unq 0 iso 0 dist 9.17826 16.3489 7.43071 11.1592 5.0317 9.18728 numMergedOcc 0
28 mol 227 unq 1 iso 0 dist 9.17826 5.75236 5.41321 11.1592 5.0317 8.91971 numMergedOcc 0
29 mol 227 unq 2 iso 0 dist 9.64299 9.17153 6.02296 10.3251 5.83175 9.18728 numMergedOcc 0
30 mol 229 unq 0 iso 0 dist 9.84492 10.8309 8.66332 14.7472 5.70473 9.37336 numMergedOcc 0
31 mol 234 unq 0 iso 0 dist 5.00515 10.6768 7.32499 17.307 13.1872 7.77911 numMergedOcc 0
32 mol 235 unq 0 iso 0 dist 9.71281 6.18998 6.36341 5.38046 13.089 7.39085 numMergedOcc 0
33 mol 273 unq 0 iso 0 dist 8.90885 5.06747 8.83865 10.2471 4.24707 7.85836 numMergedOcc 0
34 mol 273 unq 1 iso 0 dist 8.90885 5.06747 8.83865 10.7572 8.56043 6.35532 numMergedOcc 0
35 mol 273 unq 2 iso 0 dist 7.89852 5.62662 9.18157 10.6102 6.65672 7.85836 numMergedOcc 0
36 mol 273 unq 3 iso 0 dist 7.89852 5.62662 9.18157 9.45329 8.81454 6.35532 numMergedOcc 0
37 mol 273 unq 4 iso 0 dist 9.96963 5.06747 9.18157 10.2471 6.65672 7.85836 numMergedOcc 0
38 mol 273 unq 5 iso 0 dist 9.96963 5.06747 9.18157 10.7572 8.81454 6.35532 numMergedOcc 0
