CHARGE -0.00 ( 0 ) Formula: H17 C8 N3 O2 ATOM 1 N LIG 1 -3.590 0.997 0.628 -0.558900 N ATOM 2 H LIG 1 -3.090 1.365 1.374 0.322500 H ATOM 3 C LIG 1 -3.126 -0.087 -0.025 0.654100 C ATOM 4 O LIG 1 -3.751 -0.547 -0.957 -0.616100 O ATOM 5 C1 LIG 1 -1.830 -0.727 0.402 0.096500 CT ATOM 6 N1 LIG 1 -1.775 -2.105 -0.103 -0.911800 NT ATOM 7 H1 LIG 1 -1.828 -2.124 -1.110 0.358300 H ATOM 8 H2 LIG 1 -0.945 -2.577 0.225 0.358300 H ATOM 9 C2 LIG 1 -0.655 0.072 -0.166 -0.111400 CT ATOM 10 C3 LIG 1 0.658 -0.503 0.369 -0.109400 CT ATOM 11 C4 LIG 1 1.833 0.296 -0.198 0.088000 CT ATOM 12 N2 LIG 1 3.090 -0.254 0.314 -0.571900 N ATOM 13 C5 LIG 1 4.265 0.294 -0.054 0.652100 C ATOM 14 O1 LIG 1 4.282 1.242 -0.810 -0.606100 O ATOM 15 C6 LIG 1 5.559 -0.272 0.473 -0.176100 CT ATOM 16 H3 LIG 1 3.077 -1.013 0.918 0.302500 H ATOM 17 C7 LIG 1 -4.853 1.615 0.216 0.075300 CT ATOM 18 H4 LIG 1 -1.771 -0.736 1.491 0.073700 H1 ATOM 19 H5 LIG 1 -0.664 0.007 -1.254 0.068700 HC ATOM 20 H6 LIG 1 -0.745 1.115 0.137 0.068700 HC ATOM 21 H7 LIG 1 0.666 -0.438 1.457 0.041200 HC ATOM 22 H8 LIG 1 0.748 -1.546 0.067 0.041200 HC ATOM 23 H9 LIG 1 1.825 0.231 -1.286 0.065700 H1 ATOM 24 H10 LIG 1 1.743 1.339 0.104 0.065700 H1 ATOM 25 H11 LIG 1 5.345 -1.114 1.131 0.065367 HC ATOM 26 H12 LIG 1 6.174 -0.610 -0.361 0.065367 HC ATOM 27 H13 LIG 1 6.093 0.498 1.029 0.065367 HC ATOM 28 H14 LIG 1 -4.773 1.950 -0.818 0.043367 H1 ATOM 29 H15 LIG 1 -5.659 0.887 0.301 0.043367 H1 ATOM 30 H16 LIG 1 -5.066 2.469 0.859 0.043367 H1 BOND 1 1 2 1 N H BOND 2 1 3 1 N C BOND 3 3 4 2 C O BOND 4 3 5 1 C C1 BOND 5 5 6 1 C1 N1 BOND 6 6 7 1 N1 H1 BOND 7 6 8 1 N1 H2 BOND 8 5 9 1 C1 C2 BOND 9 9 10 1 C2 C3 BOND 10 10 11 1 C3 C4 BOND 11 11 12 1 C4 N2 BOND 12 12 13 1 N2 C5 BOND 13 13 14 2 C5 O1 BOND 14 13 15 1 C5 C6 BOND 15 12 16 1 N2 H3 BOND 16 1 17 1 N C7 BOND 17 5 18 1 C1 H4 BOND 18 9 19 1 C2 H5 BOND 19 9 20 1 C2 H6 BOND 20 10 21 1 C3 H7 BOND 21 10 22 1 C3 H8 BOND 22 11 23 1 C4 H9 BOND 23 11 24 1 C4 H10 BOND 24 15 25 1 C6 H11 BOND 25 15 26 1 C6 H12 BOND 26 15 27 1 C6 H13 BOND 27 17 28 1 C7 H14 BOND 28 17 29 1 C7 H15 BOND 29 17 30 1 C7 H16