0 mol 34 unq 0 iso 0 dist 9.33027 7.52842 6.15801 7.32707 6.47508 9.63403 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 9.33027 7.52842 6.15801 11.0429 9.89387 8.07314 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 8.2946 6.51847 6.15801 9.25346 6.47508 9.63403 numMergedOcc 0
3 mol 34 unq 3 iso 0 dist 8.2946 6.51847 6.15801 13.1502 9.89387 8.07314 numMergedOcc 0
4 mol 34 unq 4 iso 0 dist 7.32707 7.52842 9.63403 9.33027 6.47508 6.15801 numMergedOcc 0
5 mol 34 unq 5 iso 0 dist 7.32707 7.52842 9.63403 11.0429 10.4405 8.07314 numMergedOcc 0
6 mol 34 unq 6 iso 0 dist 9.25346 6.51847 9.63403 8.2946 6.47508 6.15801 numMergedOcc 0
7 mol 34 unq 7 iso 0 dist 9.25346 6.51847 9.63403 13.1502 10.4405 8.07314 numMergedOcc 0
8 mol 105 unq 0 iso 0 dist 5.03173 6.14305 7.09806 10.2291 6.37217 7.71923 numMergedOcc 0
9 mol 105 unq 1 iso 0 dist 5.03173 6.14305 7.09806 10.4111 5.73435 9.87821 numMergedOcc 0
10 mol 126 unq 0 iso 0 dist 7.36017 5.83002 5.94233 5.14819 6.71205 8.56219 numMergedOcc 0
11 mol 126 unq 1 iso 0 dist 5.14819 5.83002 8.56219 7.36017 6.71205 5.94233 numMergedOcc 0
12 mol 135 unq 0 iso 0 dist 7.12936 6.50383 7.62606 10.2898 6.35752 9.40325 numMergedOcc 0
13 mol 135 unq 1 iso 0 dist 9.15377 9.3453 9.40325 12.128 6.35752 7.62606 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 4.25566 11.1956 9.78667 7.31037 6.33946 6.73983 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 4.25566 11.1956 9.78667 13.4855 12.8394 7.64956 numMergedOcc 0
16 mol 141 unq 2 iso 0 dist 4.25566 9.65952 8.47026 7.31037 6.33946 8.6387 numMergedOcc 0
17 mol 141 unq 3 iso 0 dist 6.63171 14.6024 9.78667 12.7865 6.33946 6.73983 numMergedOcc 0
18 mol 141 unq 4 iso 0 dist 6.63171 14.6024 9.78667 19.1528 12.8394 7.64956 numMergedOcc 0
19 mol 141 unq 5 iso 0 dist 6.63171 11.3036 8.47026 12.7865 6.33946 8.6387 numMergedOcc 0
20 mol 141 unq 6 iso 0 dist 7.67273 11.2383 9.78667 11.4979 6.33946 6.73983 numMergedOcc 0
21 mol 141 unq 7 iso 0 dist 7.67273 11.2383 9.78667 16.7871 12.8394 7.64956 numMergedOcc 0
22 mol 141 unq 8 iso 0 dist 7.67273 7.19116 8.47026 11.4979 6.33946 8.6387 numMergedOcc 0
23 mol 141 unq 9 iso 0 dist 7.31037 11.1956 6.73983 4.25566 6.33946 9.78667 numMergedOcc 0
24 mol 141 unq 10 iso 0 dist 7.31037 11.1956 6.73983 13.4855 6.59975 7.64956 numMergedOcc 0
25 mol 141 unq 11 iso 0 dist 7.31037 9.65952 8.6387 4.25566 6.33946 8.47026 numMergedOcc 0
26 mol 141 unq 12 iso 0 dist 5.26989 8.00633 6.94988 9.40594 6.51325 4.46777 numMergedOcc 0
27 mol 175 unq 0 iso 0 dist 8.99988 6.05776 5.60528 10.5485 6.75531 5.89564 numMergedOcc 0
28 mol 175 unq 1 iso 0 dist 5.4997 5.95187 5.89564 6.99693 6.75531 5.60528 numMergedOcc 0
29 mol 175 unq 2 iso 0 dist 6.99693 5.95187 5.60528 5.4997 6.75531 5.89564 numMergedOcc 0
30 mol 186 unq 0 iso 0 dist 8.97471 6.20673 7.02575 9.82146 6.68665 4.5271 numMergedOcc 0
31 mol 193 unq 0 iso 0 dist 7.60625 5.91268 7.8141 14.168 12.9373 8.43187 numMergedOcc 0
32 mol 226 unq 0 iso 0 dist 8.1931 5.61577 6.37744 11.4956 9.75764 6.26945 numMergedOcc 0
33 mol 237 unq 0 iso 0 dist 5.98039 9.38038 6.07878 9.48932 5.62416 7.80422 numMergedOcc 0
34 mol 237 unq 1 iso 0 dist 5.98039 9.38038 6.07878 11.5576 8.65228 5.06628 numMergedOcc 0
35 mol 237 unq 2 iso 0 dist 9.48932 9.38038 7.80422 5.98039 5.62416 6.07878 numMergedOcc 0
36 mol 237 unq 3 iso 0 dist 9.48932 9.38038 7.80422 11.5576 6.60537 5.06628 numMergedOcc 0
37 mol 237 unq 4 iso 0 dist 9.27395 7.48464 9.54499 7.55103 6.08027 9.36216 numMergedOcc 0
38 mol 237 unq 5 iso 0 dist 9.27395 8.97735 5.6703 7.55103 6.08027 8.72819 numMergedOcc 0
39 mol 237 unq 6 iso 0 dist 7.55103 7.48464 9.36216 9.27395 6.08027 9.54499 numMergedOcc 0
40 mol 237 unq 7 iso 0 dist 7.55103 8.97735 8.72819 9.27395 6.08027 5.6703 numMergedOcc 0
