COMPND HEHRER ATOM 1 ZN MOL 1 -1.040 -0.908 -0.664 1.00203.11 ATOM 2 O3 MOL 1 0.960 -0.776 -0.476 1.00203.11 ATOM 3 O3 MOL 1 -2.908 -1.656 0.176 1.00203.11 ATOM 4 O3 MOL 1 -1.192 -2.384 1.224 1.00203.11 ATOM 5 O2 MOL 1 -3.152 -3.132 1.748 1.00203.11 ATOM 6 N MOL 1 -1.628 -0.168 -2.552 1.00203.11 ATOM 7 N2 MOL 1 -0.924 -2.692 -1.872 1.00203.11 ATOM 8 N3 MOL 1 -2.428 -2.404 1.072 1.00203.11 ATOM 9 C MOL 1 -1.564 1.080 -3.004 1.00-303.62 ATOM 10 C MOL 1 -1.928 1.432 -4.276 1.00 98.30 ATOM 11 C MOL 1 -2.392 0.452 -5.124 1.00-116.45 ATOM 12 C MOL 1 -2.440 -0.836 -4.688 1.00-163.81 ATOM 13 C MOL 1 -2.048 -1.132 -3.400 1.00263.64 ATOM 14 C3 MOL 1 -2.024 -2.532 -2.848 1.00-302.42 ATOM 15 C3 MOL 1 0.396 -2.692 -2.552 1.00 92.23 ATOM 16 C MOL 1 1.560 -2.808 -1.604 1.00 9.53 ATOM 17 C MOL 1 1.816 -1.800 -0.656 1.00-116.45 ATOM 18 C MOL 1 3.004 -1.884 0.076 1.00152.06 ATOM 19 C MOL 1 3.880 -2.932 -0.088 1.00181.18 ATOM 20 C MOL 1 3.600 -3.936 -0.976 1.00 99.76 ATOM 21 C MOL 1 2.444 -3.868 -1.728 1.00325.48 ATOM 22 H MOL 1 -1.176 1.652 -2.452 1.00-59.52 ATOM 23 H MOL 1 -1.868 2.296 -4.528 1.00181.18 ATOM 24 H MOL 1 -2.704 0.644 -5.980 1.00-50.50 ATOM 25 H MOL 1 -2.752 -1.460 -5.224 1.00 9.79 ATOM 26 H MOL 1 -1.972 -3.152 -3.524 1.00-299.14 ATOM 27 H MOL 1 -2.892 -2.732 -2.408 1.00180.57 ATOM 28 H MOL 1 0.448 -3.344 -3.148 1.00 7.36 ATOM 29 H MOL 1 0.520 -1.864 -3.056 1.00 13.82 ATOM 30 H MOL 1 3.172 -1.236 0.624 1.00 0.06 ATOM 31 H MOL 1 4.656 -2.924 0.368 1.00261.12 ATOM 32 H MOL 1 4.200 -4.616 -1.080 1.00 67.73 ATOM 33 H MOL 1 2.244 -4.476 -2.408 1.00140.79 ATOM 34 O3 MOL 1 -0.960 0.776 0.476 1.00 22.73 ATOM 35 ZN MOL 1 1.040 0.908 0.660 1.00304.63 ATOM 36 C MOL 1 -1.820 1.800 0.652 1.00180.61 ATOM 37 O3 MOL 1 2.912 1.656 -0.176 1.00260.40 ATOM 38 O3 MOL 1 1.188 2.384 -1.224 1.00-299.48 ATOM 39 N MOL 1 1.628 0.168 2.552 1.00 2.06 ATOM 40 N2 MOL 1 0.924 2.692 1.868 1.00-319.78 ATOM 41 C MOL 1 -1.564 2.808 1.600 1.00203.11 ATOM 42 C MOL 1 -3.000 1.884 -0.080 1.00203.11 ATOM 43 N3 MOL 1 2.428 2.404 -1.076 1.00203.11 ATOM 44 C MOL 1 1.560 -1.080 3.000 1.00203.11 ATOM 45 C MOL 1 2.044 1.132 3.396 1.00203.11 ATOM 46 C3 MOL 1 2.024 2.532 2.848 1.00203.11 ATOM 47 C3 MOL 1 -0.396 2.692 2.552 1.00203.11 ATOM 48 C MOL 1 -2.444 3.868 1.728 1.00203.11 ATOM 49 C MOL 1 -3.880 2.932 0.084 1.00203.11 ATOM 50 H MOL 1 -3.172 1.236 -0.624 1.00203.11 ATOM 51 O2 MOL 1 3.152 3.132 -1.748 1.00203.11 ATOM 52 C MOL 1 1.924 -1.432 4.276 1.00203.11 ATOM 53 H MOL 1 1.172 -1.652 2.452 1.00203.11 ATOM 54 C MOL 1 2.440 0.836 4.684 1.00203.11 ATOM 55 H MOL 1 1.972 3.152 3.524 1.00203.11 ATOM 56 H MOL 1 2.892 2.732 2.404 1.00203.11 ATOM 57 H MOL 1 -0.448 3.344 3.144 1.00203.11 ATOM 58 H MOL 1 -0.520 1.864 3.052 1.00203.11 ATOM 59 C MOL 1 -3.596 3.936 0.972 1.00203.11 ATOM 60 H MOL 1 -2.244 4.476 2.404 1.00203.11 ATOM 61 H MOL 1 -4.652 2.924 -0.372 1.00203.11 ATOM 62 C MOL 1 2.392 -0.452 5.120 1.00203.11 ATOM 63 H MOL 1 1.868 -2.296 4.528 1.00203.11 ATOM 64 H MOL 1 2.756 1.460 5.220 1.00203.11 ATOM 65 H MOL 1 -4.196 4.616 1.080 1.00-302.13 ATOM 66 H MOL 1 2.708 -0.644 5.976 1.00222.75 TER 67 MOL 1 END