0 mol 39 unq 0 iso 0 dist 8.4436 6.17708 3.91611 7.03098 10.6649 9.17793 numMergedOcc 0
1 mol 54 unq 0 iso 0 dist 9.46449 6.94712 3.81228 5.15508 11.0484 9.41463 numMergedOcc 0
2 mol 68 unq 0 iso 0 dist 8.44761 6.09085 5.75753 11.023 10.1926 5.64092 numMergedOcc 0
3 mol 68 unq 1 iso 0 dist 8.44761 6.09085 5.75753 8.24064 9.87699 8.71074 numMergedOcc 0
4 mol 68 unq 2 iso 0 dist 6.81124 6.09085 5.26311 11.023 9.53265 5.64092 numMergedOcc 0
5 mol 68 unq 3 iso 0 dist 6.81124 6.09085 5.26311 8.24064 11.7033 8.71074 numMergedOcc 0
6 mol 69 unq 0 iso 0 dist 9.71247 7.21134 5.1678 16.036 10.9816 9.08745 numMergedOcc 0
7 mol 69 unq 1 iso 0 dist 4.95459 7.21134 11.1059 16.036 19.9773 9.08745 numMergedOcc 0
8 mol 70 unq 0 iso 0 dist 6.13606 8.63204 8.92835 5.00416 10.008 7.99194 numMergedOcc 0
9 mol 70 unq 1 iso 0 dist 6.13606 5.4014 5.07553 5.00416 10.008 7.80313 numMergedOcc 0
10 mol 70 unq 2 iso 0 dist 8.42287 9.19079 8.92835 4.00828 10.008 7.99194 numMergedOcc 0
11 mol 70 unq 3 iso 0 dist 8.42287 8.37742 5.07553 4.00828 10.008 7.80313 numMergedOcc 0
12 mol 95 unq 0 iso 0 dist 8.4204 8.57607 15.7954 6.56529 13.7457 4.3439 numMergedOcc 0
13 mol 95 unq 1 iso 0 dist 8.4204 6.1991 10.4348 6.56529 13.7457 6.05855 numMergedOcc 0
14 mol 113 unq 0 iso 0 dist 8.49444 5.32773 7.1951 3.71942 9.34113 4.30875 numMergedOcc 0
15 mol 113 unq 1 iso 0 dist 8.49444 5.32773 7.1951 9.01611 14.2952 8.65807 numMergedOcc 0
16 mol 113 unq 2 iso 0 dist 5.55446 5.32773 3.84573 3.71942 5.35711 4.30875 numMergedOcc 0
17 mol 113 unq 3 iso 0 dist 5.55446 5.32773 3.84573 9.01611 11.8845 8.65807 numMergedOcc 0
18 mol 154 unq 0 iso 0 dist 8.85675 8.59532 14.2356 11.1637 19.3526 7.47401 numMergedOcc 0
19 mol 169 unq 0 iso 0 dist 9.03552 5.30818 7.33583 3.61063 9.57683 4.11374 numMergedOcc 0
20 mol 169 unq 1 iso 0 dist 9.03552 5.30818 7.33583 8.83987 14.2018 8.37602 numMergedOcc 0
21 mol 169 unq 2 iso 0 dist 5.77897 5.30818 3.95773 3.61063 5.41121 4.11374 numMergedOcc 0
22 mol 169 unq 3 iso 0 dist 5.77897 5.30818 3.95773 8.83987 11.7722 8.37602 numMergedOcc 0
23 mol 169 unq 4 iso 0 dist 8.59976 8.89822 7.33583 12.9917 9.57683 4.11374 numMergedOcc 0
24 mol 169 unq 5 iso 0 dist 8.59976 8.89822 7.33583 12.2955 14.2018 8.37602 numMergedOcc 0
25 mol 169 unq 6 iso 0 dist 9.71763 8.89822 3.95773 12.9917 5.41121 4.11374 numMergedOcc 0
26 mol 169 unq 7 iso 0 dist 9.71763 8.89822 3.95773 12.2955 11.7722 8.37602 numMergedOcc 0
27 mol 184 unq 0 iso 0 dist 6.71675 8.09403 4.67256 9.24858 7.02762 5.23187 numMergedOcc 0
28 mol 186 unq 0 iso 0 dist 6.19189 9.00537 4.03697 16.5552 12.0142 9.17458 numMergedOcc 0
29 mol 186 unq 1 iso 0 dist 6.19189 9.00537 4.03697 14.3824 9.5207 7.36794 numMergedOcc 0
30 mol 186 unq 2 iso 0 dist 8.34668 8.9388 4.03697 9.09753 12.0142 9.17458 numMergedOcc 0
31 mol 186 unq 3 iso 0 dist 8.34668 8.9388 4.03697 6.7472 9.5207 7.36794 numMergedOcc 0
32 mol 186 unq 4 iso 0 dist 8.76308 8.9388 14.8715 9.09753 15.9413 9.17458 numMergedOcc 0
33 mol 186 unq 5 iso 0 dist 8.76308 8.9388 14.8715 6.7472 13.1354 7.36794 numMergedOcc 0
34 mol 186 unq 6 iso 0 dist 6.0685 8.95209 3.87082 4.59453 8.2241 9.4366 numMergedOcc 0
35 mol 205 unq 0 iso 0 dist 6.32542 6.32553 5.28417 3.30102 5.59832 4.97301 numMergedOcc 0
36 mol 213 unq 0 iso 0 dist 9.65238 8.04327 8.75651 4.88386 10.7796 9.02881 numMergedOcc 0
37 mol 214 unq 0 iso 0 dist 6.90717 5.56977 3.91276 6.35783 9.06389 8.7434 numMergedOcc 0
38 mol 217 unq 0 iso 0 dist 5.88992 8.28155 9.98266 5.14513 8.4493 6.19602 numMergedOcc 0
39 mol 226 unq 0 iso 0 dist 8.31751 8.34875 5.99712 4.94939 10.2029 9.07313 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 7.90349 6.92276 5.2878 5.7279 8.73715 8.60314 numMergedOcc 0
41 mol 277 unq 0 iso 0 dist 6.71956 9.22453 6.64795 9.7252 10.2401 5.13533 numMergedOcc 0
