PM3 PRECISE XYZ N 0.162 1 -0.692 1 1.882 1 N 1.683 1 -0.534 1 1.699 1 C 2.452 1 -1.497 1 0.776 1 C 1.685 1 -2.501 1 0.132 1 C 2.263 1 -3.358 1 -0.822 1 C 3.622 1 -3.231 1 -1.149 1 C 4.404 1 -2.25 1 -0.52 1 C 3.826 1 -1.392 1 0.435 1 H 4.431 1 -0.697 1 0.868 1 H 0.691 1 -2.627 1 0.345 1 H 1.694 1 -4.074 1 -1.278 1 H 5.394 1 -2.16 1 -0.755 1 C -0.59 1 -1.814 1 1.142 1 C -1.988 1 -1.89 1 1.365 1 C -2.79 1 -2.798 1 0.65 1 C -2.209 1 -3.652 1 -0.3 1 C -0.826 1 -3.601 1 -0.533 1 C -0.023 1 -2.693 1 0.181 1 H 0.976 1 -2.691 1 -0.019 1 H -2.449 1 -1.286 1 2.051 1 H -3.796 1 -2.837 1 0.823 1 H -2.792 1 -4.309 1 -0.821 1 H -0.403 1 -4.225 1 -1.223 1 N 4.245 1 -4.154 1 -2.184 1 H 3.44 1 -4.729 1 -2.71 1 H 4.816 1 -3.549 1 -2.934 1 Bond info. 1 2 2 1 13 1 2 3 1 3 4 2 3 8 1 4 5 1 4 10 1 5 6 2 5 11 1 6 7 1 6 24 1 7 8 2 7 12 1 8 9 1 13 14 2 13 18 1 14 15 1 14 20 1 15 16 2 15 21 1 16 17 1 16 22 1 17 18 2 17 23 1 18 19 1 24 25 1 24 26 1