@MOLECULE FDBD03235 46 47 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.6854 1.8656 0.7734 C.3 1 UNK -0.0653 2 C1 -0.5753 0.3528 0.5726 C.3 1 UNK -0.0559 3 C2 -1.9714 -0.2711 0.6214 C.3 1 UNK -0.0533 4 C3 -1.8613 -1.7839 0.4206 C.3 1 UNK -0.0531 5 C4 -3.2575 -2.4078 0.4695 C.3 1 UNK -0.0530 6 C5 -3.1474 -3.9205 0.2687 C.3 1 UNK -0.0528 7 C6 -4.5435 -4.5445 0.3175 C.3 1 UNK -0.0487 8 C7 -4.4334 -6.0572 0.1167 C.3 1 UNK -0.0182 9 C8 -5.8091 -6.6710 0.1591 C.ar 1 UNK 0.0642 10 C9 -6.5268 -6.8784 -1.0162 C.ar 1 UNK 0.0601 11 C10 -5.9239 -6.4863 -2.3405 C.3 1 UNK -0.0124 12 C11 -5.1513 -7.6728 -2.9204 C.3 1 UNK -0.0598 13 N -7.7283 -7.4152 -0.9779 N.ar 1 UNK -0.1714 14 C12 -8.2908 -7.7743 0.1816 C.ar 1 UNK 0.4204 15 N1 -9.4644 -8.3229 0.4763 N.ar 1 UNK -0.2683 16 C13 -9.5638 -8.4910 1.7891 C.ar 1 UNK 0.1674 17 N2 -8.4713 -8.0613 2.3719 N.ar 1 UNK 0.0230 18 N3 -7.6247 -7.5901 1.3604 N.ar 1 UNK 0.0068 19 C14 -6.3746 -7.0416 1.3639 C.ar 1 UNK 0.3087 20 N4 -5.6916 -6.8585 2.5457 N.pl3 1 UNK -0.3029 21 H 0.2910 2.3019 0.7393 H 1 UNK 0.0230 22 H1 -1.1333 2.0676 1.7239 H 1 UNK 0.0230 23 H2 -1.2909 2.2853 -0.0026 H 1 UNK 0.0230 24 H3 0.0302 -0.0669 1.3486 H 1 UNK 0.0263 25 H4 -0.1274 0.1508 -0.3779 H 1 UNK 0.0263 26 H5 -2.5769 0.1486 -0.1546 H 1 UNK 0.0265 27 H6 -2.4193 -0.0691 1.5719 H 1 UNK 0.0265 28 H7 -1.2557 -2.2036 1.1965 H 1 UNK 0.0265 29 H8 -1.4135 -1.9859 -0.5300 H 1 UNK 0.0265 30 H9 -3.8631 -1.9881 -0.3064 H 1 UNK 0.0265 31 H10 -3.7053 -2.2058 1.4201 H 1 UNK 0.0265 32 H11 -2.5419 -4.3401 1.0447 H 1 UNK 0.0265 33 H12 -2.6996 -4.1224 -0.6819 H 1 UNK 0.0265 34 H13 -5.1490 -4.1249 -0.4585 H 1 UNK 0.0268 35 H14 -4.9913 -4.3426 1.2681 H 1 UNK 0.0268 36 H15 -3.8312 -6.4774 0.8950 H 1 UNK 0.0316 37 H16 -3.9818 -6.2591 -0.8321 H 1 UNK 0.0316 38 H17 -5.2572 -5.6615 -2.1986 H 1 UNK 0.0326 39 H18 -6.7029 -6.2029 -3.0171 H 1 UNK 0.0326 40 H19 -4.3723 -7.9562 -2.2438 H 1 UNK 0.0233 41 H20 -4.7232 -7.3944 -3.8607 H 1 UNK 0.0233 42 H21 -5.8180 -8.4976 -3.0623 H 1 UNK 0.0233 43 H22 -10.1560 -8.5678 -0.1801 H 1 UNK 0.1743 44 H23 -10.3773 -8.8980 2.2766 H 1 UNK 0.1090 45 H24 -4.7905 -6.4620 2.5371 H 1 UNK 0.1478 46 H25 -6.1045 -7.1241 3.3991 H 1 UNK 0.1478 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 19 ar 10 9 10 ar 11 10 11 1 12 10 13 ar 13 11 12 1 14 13 14 ar 15 14 18 ar 16 14 15 ar 17 15 16 ar 18 16 17 ar 19 17 18 ar 20 18 19 ar 21 19 20 1 22 1 21 1 23 1 22 1 24 1 23 1 25 2 24 1 26 2 25 1 27 3 26 1 28 3 27 1 29 4 28 1 30 4 29 1 31 5 30 1 32 5 31 1 33 6 32 1 34 6 33 1 35 7 34 1 36 7 35 1 37 8 36 1 38 8 37 1 39 11 38 1 40 11 39 1 41 12 40 1 42 12 41 1 43 12 42 1 44 15 43 1 45 16 44 1 46 20 45 1 47 20 46 1