@MOLECULE FDBD00599 44 46 0 0 0 SMALL GASTEIGER @ATOM 1 N 0.5433 2.0240 -0.9393 N.4 1 UNK 0.2392 2 C 0.7237 1.3523 0.3464 C.3 1 UNK -0.0053 3 C1 2.1049 0.7959 0.5043 C.ar 1 UNK 0.0048 4 C2 2.4339 -0.5073 0.0974 C.ar 1 UNK -0.0097 5 C3 3.7580 -0.9744 0.2748 C.ar 1 UNK -0.0174 6 C4 -0.8324 2.5008 -1.0792 C.3 1 UNK -0.0126 7 C5 3.0677 1.6269 1.0780 C.ar 1 UNK -0.0529 8 C6 1.4847 3.1356 -1.0726 C.3 1 UNK -0.0425 9 C7 1.4776 -1.3574 -0.4817 C.ar 1 UNK -0.0536 10 C8 4.7142 -0.1243 0.8539 C.ar 1 UNK -0.0540 11 C9 4.3699 1.1676 1.2524 C.ar 1 UNK -0.0607 12 C10 4.0869 -2.2776 -0.1322 C.ar 1 UNK -0.0540 13 C11 -1.8197 1.3793 -0.9464 C.2 1 UNK -0.0389 14 C12 1.8219 -2.6494 -0.8803 C.ar 1 UNK -0.0612 15 C13 3.1240 -3.1086 -0.7058 C.ar 1 UNK -0.0612 16 C14 -2.7754 1.3477 -0.0041 C.2 1 UNK -0.0536 17 C15 -3.7761 0.2793 0.1560 C.ar 1 UNK -0.0251 18 C16 -3.5372 -0.9651 -0.4056 C.ar 1 UNK -0.0546 19 C17 -4.9386 0.5378 0.8652 C.ar 1 UNK -0.0546 20 C18 -4.4851 -1.9771 -0.2543 C.ar 1 UNK -0.0612 21 C19 -5.8865 -0.4744 1.0164 C.ar 1 UNK -0.0612 22 C20 -5.6597 -1.7317 0.4567 C.ar 1 UNK -0.0617 23 H 0.7296 1.3514 -1.6832 H 1 UNK 0.2037 24 H1 0.0188 0.5505 0.4183 H 1 UNK 0.0867 25 H2 0.5703 2.0758 1.1197 H 1 UNK 0.0867 26 H3 -0.9474 2.9529 -2.0422 H 1 UNK 0.0861 27 H4 -1.0227 3.2093 -0.3003 H 1 UNK 0.0861 28 H5 2.8141 2.5827 1.3732 H 1 UNK 0.0622 29 H6 1.3029 3.8517 -0.2987 H 1 UNK 0.0778 30 H7 1.3541 3.6011 -2.0271 H 1 UNK 0.0778 31 H8 2.4858 2.7671 -0.9895 H 1 UNK 0.0778 32 H9 0.5103 -1.0230 -0.6138 H 1 UNK 0.0624 33 H10 5.6815 -0.4587 0.9860 H 1 UNK 0.0624 34 H11 5.0813 1.7831 1.6768 H 1 UNK 0.0618 35 H12 5.0507 -2.6242 -0.0057 H 1 UNK 0.0624 36 H13 -1.7614 0.5931 -1.6124 H 1 UNK 0.0625 37 H14 1.1106 -3.2649 -1.3048 H 1 UNK 0.0618 38 H15 3.3775 -4.0645 -1.0009 H 1 UNK 0.0618 39 H16 -2.8117 2.1355 0.6616 H 1 UNK 0.0622 40 H17 -2.6664 -1.1412 -0.9306 H 1 UNK 0.0623 41 H18 -5.1013 1.4699 1.2773 H 1 UNK 0.0623 42 H19 -4.3174 -2.9074 -0.6684 H 1 UNK 0.0618 43 H20 -6.7556 -0.2930 1.5424 H 1 UNK 0.0618 44 H21 -6.3610 -2.4804 0.5687 H 1 UNK 0.0618 @BOND 1 1 2 1 2 1 6 1 3 1 8 1 4 2 3 1 5 3 4 ar 6 3 7 ar 7 4 5 ar 8 4 9 ar 9 5 10 ar 10 5 12 ar 11 6 13 1 12 7 11 ar 13 9 14 ar 14 10 11 ar 15 12 15 ar 16 13 16 2 17 14 15 ar 18 16 17 1 19 17 18 ar 20 17 19 ar 21 18 20 ar 22 19 21 ar 23 20 22 ar 24 21 22 ar 25 1 23 1 26 2 24 1 27 2 25 1 28 6 26 1 29 6 27 1 30 7 28 1 31 8 29 1 32 8 30 1 33 8 31 1 34 9 32 1 35 10 33 1 36 11 34 1 37 12 35 1 38 13 36 1 39 14 37 1 40 15 38 1 41 16 39 1 42 18 40 1 43 19 41 1 44 20 42 1 45 21 43 1 46 22 44 1