0 mol 10 unq 0 iso 0 dist 9.09758 10.1382 5.40169 6.55806 5.59965 9.61828 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.67696 11.9066 9.69752 4.89927 8.00171 11.9395 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 8.12171 7.70921 6.2004 7.1011 8.00171 7.72688 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 8.12171 7.70921 6.2004 11.6096 5.95834 4.82556 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 8.12171 7.70921 6.2004 10.8208 4.2121 6.25108 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 8.12171 7.70921 6.2004 13.3998 6.72323 11.8207 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 8.01238 16.9951 9.5053 13.0316 6.56527 5.66783 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 9.2958 8.88157 9.75201 14.0749 8.95905 7.2505 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.45854 5.06651 8.29345 13.0366 9.91054 9.01596 numMergedOcc 0
9 mol 141 unq 0 iso 0 dist 6.41084 14.9542 9.78667 11.939 9.83945 8.69924 numMergedOcc 0
10 mol 141 unq 1 iso 0 dist 6.41084 12.4212 8.47026 11.939 9.83945 9.33878 numMergedOcc 0
11 mol 141 unq 2 iso 0 dist 6.93424 5.44816 6.73983 12.0582 6.75376 8.69924 numMergedOcc 0
12 mol 141 unq 3 iso 0 dist 6.93424 9.06521 8.6387 12.0582 6.75376 9.33878 numMergedOcc 0
13 mol 141 unq 4 iso 0 dist 6.8891 5.44816 7.64956 12.0582 9.10042 8.69924 numMergedOcc 0
14 mol 141 unq 5 iso 0 dist 6.8891 5.44816 7.64956 13.5187 9.75059 9.41497 numMergedOcc 0
15 mol 141 unq 6 iso 0 dist 6.8891 5.44816 7.64956 10.0354 6.83404 9.53115 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 5.87853 4.41466 7.11785 6.15536 7.22883 8.30281 numMergedOcc 0
17 mol 194 unq 0 iso 0 dist 7.71806 5.5201 6.37788 12.1101 6.1886 8.43261 numMergedOcc 0
18 mol 194 unq 1 iso 0 dist 7.71806 6.55595 8.7028 12.1101 6.1886 13.8424 numMergedOcc 0
19 mol 226 unq 0 iso 0 dist 8.22952 12.3393 6.26945 7.04199 5.70795 6.85639 numMergedOcc 0
20 mol 247 unq 0 iso 0 dist 8.46644 17.0538 9.84493 7.56352 8.45756 12.4425 numMergedOcc 0
21 mol 256 unq 0 iso 0 dist 7.36908 11.9104 9.66027 7.49849 4.98734 7.29258 numMergedOcc 0
22 mol 256 unq 1 iso 0 dist 7.36908 11.9104 9.66027 9.92311 6.37963 11.299 numMergedOcc 0
23 mol 256 unq 2 iso 0 dist 7.36908 11.9104 9.66027 7.27553 8.16803 6.85417 numMergedOcc 0
24 mol 256 unq 3 iso 0 dist 5.2801 9.44168 8.89892 7.49849 6.33496 4.55079 numMergedOcc 0
25 mol 256 unq 4 iso 0 dist 5.2801 9.44168 8.89892 9.92311 6.00636 7.29918 numMergedOcc 0
26 mol 256 unq 5 iso 0 dist 5.2801 9.44168 8.89892 5.91322 7.81448 8.66399 numMergedOcc 0
27 mol 256 unq 6 iso 0 dist 5.2801 9.44168 8.89892 5.49322 8.54499 6.4708 numMergedOcc 0
28 mol 260 unq 0 iso 0 dist 8.75324 10.2178 7.99521 6.49889 9.32954 5.52447 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 9.7625 7.05559 7.85414 4.44586 8.20644 5.43373 numMergedOcc 0
