0 mol 16 unq 0 iso 0 dist 8.63347 5.38671 6.57331 11.3479 6.09368 6.42835 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.10473 13.7275 7.52933 15.2738 6.53015 6.55597 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.10473 13.7275 7.52933 16.7554 11.8984 9.71956 numMergedOcc 0
3 mol 25 unq 2 iso 0 dist 9.10473 13.7275 7.52933 14.8098 8.64476 7.07751 numMergedOcc 0
4 mol 25 unq 3 iso 0 dist 9.10473 13.7275 7.52933 9.20827 4.64241 8.23761 numMergedOcc 0
5 mol 25 unq 4 iso 0 dist 9.10473 13.7275 7.52933 21.5876 16.0628 9.49421 numMergedOcc 0
6 mol 25 unq 5 iso 0 dist 9.94577 9.36442 4.79873 18.4003 12.7147 9.48085 numMergedOcc 0
7 mol 25 unq 6 iso 0 dist 9.20827 13.7275 8.23761 9.10473 4.64241 7.52933 numMergedOcc 0
8 mol 25 unq 7 iso 0 dist 9.20827 13.7275 8.23761 15.2738 7.36721 6.55597 numMergedOcc 0
9 mol 25 unq 8 iso 0 dist 9.20827 13.7275 8.23761 16.7554 8.42944 9.71956 numMergedOcc 0
10 mol 25 unq 9 iso 0 dist 9.20827 13.7275 8.23761 14.8098 5.99526 7.07751 numMergedOcc 0
11 mol 25 unq 10 iso 0 dist 9.20827 13.7275 8.23761 21.5876 14.6175 9.49421 numMergedOcc 0
12 mol 72 unq 0 iso 0 dist 9.86502 7.06403 7.66093 12.077 5.75711 6.21799 numMergedOcc 0
13 mol 72 unq 1 iso 0 dist 9.86502 7.06403 7.66093 10.4135 5.26077 5.03251 numMergedOcc 0
14 mol 73 unq 0 iso 0 dist 5.79157 5.72472 8.72682 10.5064 11.9298 6.45841 numMergedOcc 0
15 mol 73 unq 1 iso 0 dist 5.79157 5.72472 8.72682 7.91605 9.76138 5.61588 numMergedOcc 0
16 mol 73 unq 2 iso 0 dist 5.79157 5.72472 8.72682 6.43707 5.81659 7.83244 numMergedOcc 0
17 mol 73 unq 3 iso 0 dist 7.91605 6.71593 5.5087 6.43707 5.30471 6.08682 numMergedOcc 0
18 mol 73 unq 4 iso 0 dist 7.91605 5.72472 5.61588 5.79157 9.76138 8.72682 numMergedOcc 0
19 mol 73 unq 5 iso 0 dist 7.91605 5.72472 5.61588 10.5064 3.32668 6.45841 numMergedOcc 0
20 mol 73 unq 6 iso 0 dist 7.91605 5.72472 5.61588 6.43707 5.30471 7.83244 numMergedOcc 0
21 mol 73 unq 7 iso 0 dist 6.43707 6.71593 6.08682 7.91605 5.30471 5.5087 numMergedOcc 0
22 mol 73 unq 8 iso 0 dist 6.43707 5.72472 7.83244 5.79157 5.81659 8.72682 numMergedOcc 0
23 mol 73 unq 9 iso 0 dist 6.43707 5.72472 7.83244 10.5064 8.07648 6.45841 numMergedOcc 0
24 mol 73 unq 10 iso 0 dist 6.43707 5.72472 7.83244 7.91605 5.30471 5.61588 numMergedOcc 0
25 mol 89 unq 0 iso 0 dist 8.68698 10.5385 6.53308 14.1786 7.04263 7.47974 numMergedOcc 0
26 mol 142 unq 0 iso 0 dist 8.21936 9.20754 7.18002 16.013 13.4681 7.81207 numMergedOcc 0
27 mol 143 unq 0 iso 0 dist 6.45477 4.98373 7.36975 9.95629 10.1474 5.40637 numMergedOcc 0
28 mol 152 unq 0 iso 0 dist 8.78112 9.66339 8.9192 10.3465 3.55572 6.59889 numMergedOcc 0
29 mol 162 unq 0 iso 0 dist 9.95076 8.35998 7.37333 7.76112 3.77838 7.45998 numMergedOcc 0
30 mol 162 unq 1 iso 0 dist 7.76112 8.35998 7.45998 9.95076 3.77838 7.37333 numMergedOcc 0
31 mol 184 unq 0 iso 0 dist 9.16535 12.5217 9.90822 15.5169 9.88527 6.73504 numMergedOcc 0
32 mol 207 unq 0 iso 0 dist 8.72885 6.93784 5.12567 12.5791 6.07936 6.0563 numMergedOcc 0
33 mol 207 unq 1 iso 0 dist 8.72885 6.93784 5.12567 14.9962 10.1734 8.1244 numMergedOcc 0
34 mol 222 unq 0 iso 0 dist 5.07975 5.66819 5.56538 4.85015 3.58181 7.48954 numMergedOcc 0
35 mol 222 unq 1 iso 0 dist 4.85015 5.66819 7.48954 5.07975 3.58181 5.56538 numMergedOcc 0
36 mol 223 unq 0 iso 0 dist 8.85178 4.67731 6.42257 9.73123 12.841 9.33543 numMergedOcc 0
37 mol 223 unq 1 iso 0 dist 9.73123 4.67731 9.33543 8.85178 12.841 6.42257 numMergedOcc 0
38 mol 223 unq 2 iso 0 dist 7.8233 5.39302 6.42257 14.6717 12.841 9.33543 numMergedOcc 0
39 mol 223 unq 3 iso 0 dist 5.50267 7.19485 6.42257 15.0085 12.841 9.33543 numMergedOcc 0
40 mol 235 unq 0 iso 0 dist 8.31344 15.2767 8.19317 13.1315 4.8835 6.29377 numMergedOcc 0
41 mol 235 unq 1 iso 0 dist 8.31344 11.9322 5.1823 13.1315 4.8835 5.70635 numMergedOcc 0
42 mol 238 unq 0 iso 0 dist 9.53006 5.0871 9.07475 6.83837 3.46869 6.99888 numMergedOcc 0
43 mol 238 unq 1 iso 0 dist 6.83837 5.0871 6.99888 9.53006 3.46869 9.07475 numMergedOcc 0
44 mol 243 unq 0 iso 0 dist 7.89993 12.7467 8.67156 14.0231 6.67199 7.10671 numMergedOcc 0
45 mol 292 unq 0 iso 0 dist 6.13272 12.9146 9.46442 7.02679 3.57128 7.30758 numMergedOcc 0
46 mol 292 unq 1 iso 0 dist 6.13272 12.9146 9.46442 16.8959 11.3907 9.5785 numMergedOcc 0
47 mol 292 unq 2 iso 0 dist 6.13272 12.9146 9.46442 19.3395 13.609 9.76319 numMergedOcc 0
48 mol 292 unq 3 iso 0 dist 7.02679 13.9754 9.9182 9.08889 9.43063 8.9221 numMergedOcc 0
49 mol 292 unq 4 iso 0 dist 7.02679 12.9146 7.30758 6.13272 3.57128 9.46442 numMergedOcc 0
50 mol 292 unq 5 iso 0 dist 7.02679 12.9146 7.30758 16.8959 10.0941 9.5785 numMergedOcc 0
51 mol 292 unq 6 iso 0 dist 7.02679 12.9146 7.30758 19.3395 13.2166 9.76319 numMergedOcc 0
52 mol 292 unq 7 iso 0 dist 7.02679 5.4258 9.10788 9.08889 9.43063 8.85064 numMergedOcc 0
53 mol 292 unq 8 iso 0 dist 9.08889 13.9754 8.9221 7.02679 9.43063 9.9182 numMergedOcc 0
54 mol 292 unq 9 iso 0 dist 9.08889 5.4258 8.85064 7.02679 9.43063 9.10788 numMergedOcc 0
