0 mol 17 unq 0 iso 0 dist 7.35858 7.77586 9.19031 4.98975 9.26171 4.36561 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 7.35858 7.77586 9.19031 3.83485 8.70761 7.46777 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 9.33568 15.8175 9.4228 7.10314 9.74724 16.7341 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 9.33568 15.8175 9.4228 7.32361 9.13347 14.3516 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 9.23087 8.66168 9.18809 5.37935 8.32093 10.9724 numMergedOcc 0
5 mol 81 unq 0 iso 0 dist 8.6092 4.58101 6.4687 4.5933 7.15043 5.62545 numMergedOcc 0
6 mol 81 unq 1 iso 0 dist 8.6092 4.58101 6.4687 9.48254 5.70283 8.0518 numMergedOcc 0
7 mol 81 unq 2 iso 0 dist 8.82476 15.2881 6.67147 12.0373 5.86142 5.62545 numMergedOcc 0
8 mol 81 unq 3 iso 0 dist 8.82476 15.2881 6.67147 12.2335 7.16741 8.0518 numMergedOcc 0
9 mol 81 unq 4 iso 0 dist 9.78923 12.5975 6.67147 8.68729 5.86142 5.62545 numMergedOcc 0
10 mol 81 unq 5 iso 0 dist 9.78923 12.5975 6.67147 12.939 7.16741 8.0518 numMergedOcc 0
11 mol 81 unq 6 iso 0 dist 6.38981 4.58101 6.67147 4.5933 5.86142 5.62545 numMergedOcc 0
12 mol 81 unq 7 iso 0 dist 6.38981 4.58101 6.67147 9.48254 7.16741 8.0518 numMergedOcc 0
13 mol 85 unq 0 iso 0 dist 7.54915 13.8798 8.77199 3.88626 9.43843 13.3089 numMergedOcc 0
14 mol 85 unq 1 iso 0 dist 7.54915 13.8798 8.77199 14.8283 7.67463 10.3737 numMergedOcc 0
15 mol 85 unq 2 iso 0 dist 7.54915 15.5426 8.81824 3.88626 9.43843 16.2205 numMergedOcc 0
16 mol 85 unq 3 iso 0 dist 7.54915 15.5426 8.81824 14.8283 7.67463 8.37717 numMergedOcc 0
17 mol 91 unq 0 iso 0 dist 4.32161 8.45559 8.99376 8.70456 5.16779 13.2837 numMergedOcc 0
18 mol 91 unq 1 iso 0 dist 7.34465 8.45559 7.37948 8.70456 6.69121 13.2837 numMergedOcc 0
19 mol 95 unq 0 iso 0 dist 9.5771 8.88286 8.69749 6.56825 9.24005 4.23405 numMergedOcc 0
20 mol 95 unq 1 iso 0 dist 8.60452 8.88286 5.96576 6.56825 7.88846 4.23405 numMergedOcc 0
21 mol 116 unq 0 iso 0 dist 8.07119 3.97609 8.10448 5.21959 7.39112 5.49724 numMergedOcc 0
22 mol 159 unq 0 iso 0 dist 7.2108 8.50143 6.32159 4.3692 9.46535 8.0487 numMergedOcc 0
23 mol 206 unq 0 iso 0 dist 5.71819 5.12592 9.62822 4.22218 7.51798 4.94346 numMergedOcc 0
24 mol 206 unq 1 iso 0 dist 5.71819 6.57154 7.03546 4.22218 7.51798 9.1131 numMergedOcc 0
25 mol 206 unq 2 iso 0 dist 8.48679 7.40413 9.62822 3.57449 7.51798 4.94346 numMergedOcc 0
26 mol 206 unq 3 iso 0 dist 8.48679 10.8658 7.03546 3.57449 7.51798 9.1131 numMergedOcc 0
27 mol 206 unq 4 iso 0 dist 9.86924 13.9485 9.62822 13.0094 7.51798 4.94346 numMergedOcc 0
28 mol 206 unq 5 iso 0 dist 9.86924 10.814 7.03546 13.0094 7.51798 9.1131 numMergedOcc 0
29 mol 206 unq 6 iso 0 dist 7.44186 14.4501 9.62822 13.6373 7.51798 4.94346 numMergedOcc 0
30 mol 206 unq 7 iso 0 dist 7.44186 9.0689 7.03546 13.6373 7.51798 9.1131 numMergedOcc 0
31 mol 210 unq 0 iso 0 dist 8.78286 5.93275 5.62219 5.30972 9.41473 5.29041 numMergedOcc 0
32 mol 283 unq 0 iso 0 dist 5.7378 5.91336 8.25636 7.27864 9.74797 8.94298 numMergedOcc 0
33 mol 283 unq 1 iso 0 dist 5.7378 5.91336 8.25636 13.4741 9.90494 11.1503 numMergedOcc 0
34 mol 283 unq 2 iso 0 dist 6.91284 5.46465 9.51557 7.24296 5.90121 5.80629 numMergedOcc 0
35 mol 283 unq 3 iso 0 dist 7.15632 12.4228 8.25636 16.7441 9.74797 8.94298 numMergedOcc 0
36 mol 283 unq 4 iso 0 dist 7.15632 12.4228 8.25636 11.413 9.90494 11.1503 numMergedOcc 0
37 mol 285 unq 0 iso 0 dist 8.45077 9.453 8.89057 3.97296 7.8605 6.3912 numMergedOcc 0
38 mol 285 unq 1 iso 0 dist 8.45077 14.5796 7.97266 3.97296 7.8605 12.3871 numMergedOcc 0
