@MOLECULE FDBD03262 43 44 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK 0.0157 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK 0.0927 3 O -1.3386 -0.4987 0.0122 O.3 1 UNK -0.4918 4 C2 -1.4982 -1.8470 0.0064 C.ar 1 UNK 0.1205 5 C3 -0.3839 -2.6767 -0.0029 C.ar 1 UNK -0.0191 6 C4 -0.5422 -4.0454 -0.0082 C.ar 1 UNK -0.0434 7 C5 -1.8238 -4.5981 -0.0043 C.ar 1 UNK 0.0649 8 C6 -2.9410 -3.7615 0.0050 C.ar 1 UNK -0.0434 9 C7 -2.7753 -2.3937 0.0157 C.ar 1 UNK -0.0191 10 C8 -1.9977 -6.0671 -0.0105 C.cat 1 UNK 0.3081 11 N -0.9535 -6.8468 -0.0197 N.2 1 UNK -0.0994 12 N1 -3.2640 -6.6111 -0.0066 N.pl3 1 UNK -0.2466 13 C9 1.4167 2.0553 -0.0004 C.3 1 UNK 0.0927 14 O1 1.3973 3.4842 0.0074 O.3 1 UNK -0.4918 15 C10 2.5985 4.1170 -0.0006 C.ar 1 UNK 0.1205 16 C11 3.7727 3.3747 -0.0216 C.ar 1 UNK -0.0191 17 C12 4.9935 4.0136 -0.0303 C.ar 1 UNK -0.0434 18 C13 5.0496 5.4082 -0.0180 C.ar 1 UNK 0.0649 19 C14 3.8679 6.1507 0.0031 C.ar 1 UNK -0.0434 20 C15 2.6506 5.5053 0.0063 C.ar 1 UNK -0.0191 21 C16 6.3583 6.0976 -0.0268 C.cat 1 UNK 0.3081 22 N2 7.4607 5.4028 -0.0461 N.2 1 UNK -0.0994 23 N3 6.4118 7.4746 -0.0147 N.pl3 1 UNK -0.2466 24 H -0.5196 1.8709 0.8907 H 1 UNK 0.0331 25 H1 -0.5362 1.8803 -0.8564 H 1 UNK 0.0331 26 H2 0.5196 -0.3585 0.8688 H 1 UNK 0.0697 27 H3 0.5029 -0.3492 -0.8783 H 1 UNK 0.0697 28 H4 0.5635 -2.2674 -0.0058 H 1 UNK 0.0654 29 H5 0.2859 -4.6612 -0.0150 H 1 UNK 0.0627 30 H6 -3.8900 -4.1669 0.0039 H 1 UNK 0.0627 31 H7 -3.6009 -1.7746 0.0306 H 1 UNK 0.0654 32 H8 -0.0490 -6.4581 -0.0225 H 1 UNK 0.3633 33 H9 -4.0528 -6.0220 0.0004 H 1 UNK 0.2884 34 H10 -3.3798 -7.5888 -0.0108 H 1 UNK 0.2884 35 H11 1.9176 1.7102 -0.8807 H 1 UNK 0.0697 36 H12 1.9342 1.7008 0.8665 H 1 UNK 0.0697 37 H13 3.7305 2.3436 -0.0307 H 1 UNK 0.0654 38 H14 5.8653 3.4616 -0.0459 H 1 UNK 0.0627 39 H15 3.9059 7.1819 0.0163 H 1 UNK 0.0627 40 H16 1.7765 6.0538 0.0138 H 1 UNK 0.0654 41 H17 7.4225 4.4191 -0.0547 H 1 UNK 0.3633 42 H18 5.5790 7.9995 -0.0001 H 1 UNK 0.2884 43 H19 7.2828 7.9335 -0.0206 H 1 UNK 0.2884 @BOND 1 1 2 1 2 1 13 1 3 2 3 1 4 3 4 1 5 4 9 ar 6 4 5 ar 7 5 6 ar 8 6 7 ar 9 7 8 ar 10 7 10 1 11 8 9 ar 12 10 11 2 13 10 12 1 14 13 14 1 15 14 15 1 16 15 20 ar 17 15 16 ar 18 16 17 ar 19 17 18 ar 20 18 19 ar 21 18 21 1 22 19 20 ar 23 21 22 2 24 21 23 1 25 1 24 1 26 1 25 1 27 2 26 1 28 2 27 1 29 5 28 1 30 6 29 1 31 8 30 1 32 9 31 1 33 11 32 1 34 12 33 1 35 12 34 1 36 13 35 1 37 13 36 1 38 16 37 1 39 17 38 1 40 19 39 1 41 20 40 1 42 22 41 1 43 23 42 1 44 23 43 1