COMPND KEKULENE AUTHOR DAVE WOODCOCK 95 11 29 ATOM 1 C 1 4.914 1.286 -0.178 1.00 0.00 ATOM 2 C 1 4.947 2.690 -0.172 1.00 0.00 ATOM 3 C 1 3.749 3.424 -0.163 1.00 0.00 ATOM 4 C 1 2.512 2.752 -0.164 1.00 0.00 ATOM 5 C 1 2.489 1.348 -0.171 1.00 0.00 ATOM 6 C 1 3.686 0.602 -0.172 1.00 0.00 ATOM 7 C 1 3.649 -0.794 -0.148 1.00 0.00 ATOM 8 C 1 2.415 -1.475 -0.112 1.00 0.00 ATOM 9 C 1 2.387 -2.880 -0.016 1.00 0.00 ATOM 10 C 1 3.580 -3.598 0.011 1.00 0.00 ATOM 11 C 1 4.812 -2.942 -0.067 1.00 0.00 ATOM 12 C 1 4.851 -1.528 -0.135 1.00 0.00 ATOM 13 C 1 6.081 -0.858 -0.167 1.00 0.00 ATOM 14 C 1 6.111 0.547 -0.184 1.00 0.00 ATOM 15 C 1 1.309 3.485 -0.159 1.00 0.00 ATOM 16 C 1 0.070 2.824 -0.159 1.00 0.00 ATOM 17 C 1 1.339 4.896 -0.156 1.00 0.00 ATOM 18 C 1 0.135 5.626 -0.159 1.00 0.00 ATOM 19 C 1 -1.098 4.952 -0.168 1.00 0.00 ATOM 20 C 1 -1.136 3.546 -0.167 1.00 0.00 ATOM 21 C 1 2.578 5.564 -0.153 1.00 0.00 ATOM 22 C 1 3.778 4.836 -0.155 1.00 0.00 ATOM 23 C 1 -2.302 5.679 -0.183 1.00 0.00 ATOM 24 C 1 -3.535 5.006 -0.206 1.00 0.00 ATOM 25 C 1 -3.572 3.601 -0.205 1.00 0.00 ATOM 26 C 1 -2.372 2.871 -0.177 1.00 0.00 ATOM 27 C 1 -2.414 1.467 -0.158 1.00 0.00 ATOM 28 C 1 -3.641 0.783 -0.163 1.00 0.00 ATOM 29 C 1 -4.842 1.518 -0.210 1.00 0.00 ATOM 30 C 1 -4.807 2.924 -0.231 1.00 0.00 ATOM 31 C 1 -6.075 0.838 -0.226 1.00 0.00 ATOM 32 C 1 -6.110 -0.567 -0.179 1.00 0.00 ATOM 33 C 1 -4.910 -1.300 -0.114 1.00 0.00 ATOM 34 C 1 -3.675 -0.625 -0.114 1.00 0.00 ATOM 35 C 1 -2.480 -1.362 -0.055 1.00 0.00 ATOM 36 C 1 -2.506 -2.767 0.015 1.00 0.00 ATOM 37 C 1 -3.738 -3.438 0.026 1.00 0.00 ATOM 38 C 1 -4.938 -2.707 -0.045 1.00 0.00 ATOM 39 C 1 -1.303 -3.495 0.073 1.00 0.00 ATOM 40 C 1 -1.334 -4.899 0.166 1.00 0.00 ATOM 41 C 1 -0.133 -5.630 0.231 1.00 0.00 ATOM 42 C 1 -2.566 -5.565 0.185 1.00 0.00 ATOM 43 C 1 -3.769 -4.842 0.108 1.00 0.00 ATOM 44 C 1 -0.067 -2.832 0.030 1.00 0.00 ATOM 45 C 1 1.133 -3.559 0.064 1.00 0.00 ATOM 46 C 1 1.100 -4.949 0.174 1.00 0.00 ATOM 47 C 1 2.319 -5.684 0.217 1.00 0.00 ATOM 48 C 1 3.542 -5.030 0.132 1.00 0.00 ATOM 49 H 1 5.894 3.208 -0.175 1.00 0.00 ATOM 50 H 1 1.546 0.823 -0.175 1.00 0.00 ATOM 51 H 1 1.491 -0.919 -0.159 1.00 0.00 ATOM 52 H 1 5.729 -3.513 -0.075 1.00 0.00 ATOM 53 H 1 7.002 -1.421 -0.178 1.00 0.00 ATOM 54 H 1 7.058 1.066 -0.201 1.00 0.00 ATOM 55 H 1 0.033 1.744 -0.153 1.00 0.00 ATOM 56 H 1 0.158 6.705 -0.153 1.00 0.00 ATOM 57 H 1 2.610 6.644 -0.148 1.00 0.00 ATOM 58 H 1 4.725 5.355 -0.151 1.00 0.00 ATOM 59 H 1 -2.281 6.759 -0.176 1.00 0.00 ATOM 60 H 1 -4.457 5.568 -0.225 1.00 0.00 ATOM 61 H 1 -1.495 0.900 -0.138 1.00 0.00 ATOM 62 H 1 -5.728 3.487 -0.267 1.00 0.00 ATOM 63 H 1 -6.999 1.396 -0.275 1.00 0.00 ATOM 64 H 1 -7.058 -1.084 -0.192 1.00 0.00 ATOM 65 H 1 -1.529 -0.851 -0.064 1.00 0.00 ATOM 66 H 1 -5.886 -3.224 -0.047 1.00 0.00 ATOM 67 H 1 -0.159 -6.705 0.324 1.00 0.00 ATOM 68 H 1 -2.597 -6.642 0.259 1.00 0.00 ATOM 69 H 1 -4.715 -5.364 0.112 1.00 0.00 ATOM 70 H 1 -0.034 -1.754 -0.031 1.00 0.00 ATOM 71 H 1 2.297 -6.759 0.317 1.00 0.00 ATOM 72 H 1 4.460 -5.597 0.156 1.00 0.00 TER 73 1 END