@MOLECULE FDBD03012 40 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0187 1.5258 0.0104 C.3 1 UNK -0.0416 2 C1 0.0021 -0.0041 0.0020 C.3 1 UNK 0.0449 3 O 0.6709 -0.4649 -1.1737 O.3 1 UNK -0.3778 4 C2 0.7457 -1.8880 -1.2798 C.3 1 UNK 0.0710 5 C3 1.4779 -2.2655 -2.5691 C.3 1 UNK 0.0711 6 O1 2.8337 -1.8202 -2.4948 O.3 1 UNK -0.3742 7 C4 3.6098 -2.1246 -3.6554 C.3 1 UNK 0.0820 8 C5 5.0361 -1.6043 -3.4660 C.3 1 UNK 0.1173 9 O2 5.6735 -2.3244 -2.3780 O.3 1 UNK -0.4478 10 C6 6.9416 -1.9845 -2.0802 C.2 1 UNK 0.4068 11 O3 7.5006 -1.1103 -2.7122 O.2 1 UNK -0.2260 12 N 7.5912 -2.6141 -1.0812 N.am 1 UNK -0.2212 13 C7 8.8953 -2.2647 -0.7750 C.ar 1 UNK 0.2029 14 N1 9.6178 -1.2974 -1.4119 N.ar 1 UNK -0.3257 15 H 9.3136 -0.7424 -2.1469 H 1 UNK 0.1686 16 C8 10.8654 -1.2557 -0.8132 C.ar 1 UNK 0.0674 17 C9 12.0067 -0.4952 -1.0198 C.ar 1 UNK -0.0362 18 C10 13.1206 -0.7011 -0.2328 C.ar 1 UNK -0.0597 19 C11 13.1076 -1.6644 0.7653 C.ar 1 UNK -0.0596 20 C12 11.9838 -2.4287 0.9842 C.ar 1 UNK -0.0342 21 C13 10.8468 -2.2325 0.1961 C.ar 1 UNK 0.0907 22 N2 9.6167 -2.8086 0.1717 N.ar 1 UNK -0.2142 23 H1 1.0039 1.9031 0.0027 H 1 UNK 0.0252 24 H2 -0.5459 1.8868 -0.8726 H 1 UNK 0.0252 25 H3 -0.5289 1.8773 0.9072 H 1 UNK 0.0252 26 H4 0.5293 -0.3651 0.8851 H 1 UNK 0.0557 27 H5 -1.0205 -0.3814 0.0098 H 1 UNK 0.0557 28 H6 1.2883 -2.2882 -0.4233 H 1 UNK 0.0583 29 H7 -0.2614 -2.3044 -1.2986 H 1 UNK 0.0583 30 H8 1.4574 -3.3481 -2.6949 H 1 UNK 0.0583 31 H9 0.9858 -1.7917 -3.4184 H 1 UNK 0.0583 32 H10 3.6336 -3.2042 -3.8038 H 1 UNK 0.0594 33 H11 3.1620 -1.6478 -4.5273 H 1 UNK 0.0594 34 H12 5.6035 -1.7568 -4.3841 H 1 UNK 0.0721 35 H13 5.0065 -0.5407 -3.2296 H 1 UNK 0.0721 36 H14 7.1449 -3.3121 -0.5766 H 1 UNK 0.1610 37 H15 12.0233 0.2561 -1.7955 H 1 UNK 0.0639 38 H16 14.0088 -0.1085 -0.3949 H 1 UNK 0.0618 39 H17 13.9860 -1.8162 1.3750 H 1 UNK 0.0618 40 H18 11.9806 -3.1770 1.7630 H 1 UNK 0.0639 @BOND 1 1 2 1 2 1 23 1 3 1 24 1 4 1 25 1 5 2 3 1 6 2 26 1 7 2 27 1 8 3 4 1 9 4 5 1 10 4 28 1 11 4 29 1 12 5 6 1 13 5 30 1 14 5 31 1 15 6 7 1 16 7 8 1 17 7 32 1 18 7 33 1 19 8 9 1 20 8 34 1 21 8 35 1 22 9 10 1 23 10 11 2 24 10 12 am 25 12 13 1 26 12 36 1 27 13 22 ar 28 13 14 ar 29 14 15 1 30 14 16 ar 31 16 21 ar 32 16 17 ar 33 17 18 ar 34 17 37 1 35 18 19 ar 36 18 38 1 37 19 20 ar 38 19 39 1 39 20 21 ar 40 20 40 1 41 21 22 ar