@MOLECULE FDBD01919 54 57 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.1778 -0.2814 1.0918 C.3 1 UNK -0.0379 2 C1 1.4726 0.1902 -0.1537 C.ar 1 UNK -0.0273 3 C2 1.6324 -0.4984 -1.3347 C.ar 1 UNK -0.0396 4 C3 0.9806 -0.0676 -2.4961 C.ar 1 UNK 0.0529 5 C4 0.1659 1.0626 -2.4602 C.ar 1 UNK -0.0304 6 C5 0.0034 1.7602 -1.2659 C.ar 1 UNK 0.0593 7 C6 0.6580 1.3161 -0.1045 C.ar 1 UNK 0.0489 8 N 0.4999 2.0073 1.0892 N.am 1 UNK -0.2793 9 C7 0.0881 1.3566 2.1953 C.2 1 UNK 0.2668 10 O -0.0488 0.1481 2.1744 O.2 1 UNK -0.2682 11 C8 -0.1958 2.1074 3.4271 C.ar 1 UNK 0.1313 12 C9 -0.1967 3.4805 3.5702 C.ar 1 UNK -0.0062 13 C10 -0.5151 3.7679 4.8955 C.ar 1 UNK 0.0873 14 C11 -0.6275 5.1477 5.4909 C.3 1 UNK 0.1065 15 N1 -1.9427 5.3038 6.1170 N.ar 1 UNK -0.1569 16 N2 -3.0039 5.7382 5.5285 N.ar 1 UNK -0.1259 17 C12 -3.9790 5.7380 6.4039 C.ar 1 UNK 0.2768 18 C13 -5.4032 6.1667 6.1609 C.3 1 UNK 0.4558 19 F -6.2223 5.0359 6.0744 F 1 UNK -0.1631 20 F1 -5.8339 6.9747 7.2187 F 1 UNK -0.1631 21 F2 -5.4755 6.8876 4.9642 F 1 UNK -0.1631 22 N3 -3.4706 5.2860 7.5504 N.ar 1 UNK -0.1036 23 N4 -2.2249 5.0237 7.3419 N.ar 1 UNK -0.0455 24 N5 -0.7013 2.6426 5.5393 N.ar 1 UNK -0.1673 25 N6 -0.5155 1.5772 4.6495 N.ar 1 UNK -0.2078 26 C14 -0.6268 0.2184 4.9553 C.ar 1 UNK 0.1732 27 C15 -0.8184 -0.1774 6.2749 C.ar 1 UNK 0.0851 28 C16 -0.9271 -1.5279 6.5636 C.ar 1 UNK -0.0383 29 C17 -0.8400 -2.4370 5.5186 C.ar 1 UNK -0.0421 30 C18 -0.6490 -1.9720 4.2319 C.ar 1 UNK 0.0300 31 N7 -0.5545 -0.6796 3.9864 N.ar 1 UNK -0.2349 32 Cl -0.9192 1.0044 7.5424 Cl 1 UNK -0.0797 33 C19 -0.8568 2.9580 -1.2190 C.2 1 UNK 0.2457 34 O1 -1.0762 3.5077 -0.1569 O.2 1 UNK -0.2701 35 N8 -1.3994 3.4428 -2.3535 N.am 1 UNK -0.3144 36 C20 -2.2535 4.6321 -2.3070 C.3 1 UNK 0.0004 37 C21 1.1513 -0.7881 -3.7218 C.1 1 UNK 0.0992 38 N9 1.2868 -1.3596 -4.6942 N.1 1 UNK -0.1909 39 H 1.5232 -0.9522 1.6481 H 1 UNK 0.0278 40 H1 3.0896 -0.8106 0.8147 H 1 UNK 0.0278 41 H2 2.4309 0.5775 1.7133 H 1 UNK 0.0278 42 H3 2.2634 -1.3743 -1.3655 H 1 UNK 0.0634 43 H4 -0.3374 1.3965 -3.3555 H 1 UNK 0.0638 44 H5 0.6859 2.9586 1.1272 H 1 UNK 0.1552 45 H6 0.0122 4.2021 2.7942 H 1 UNK 0.0660 46 H7 0.1508 5.2839 6.2418 H 1 UNK 0.0593 47 H8 -0.5084 5.8935 4.7049 H 1 UNK 0.0593 48 H9 -1.0758 -1.8655 7.5786 H 1 UNK 0.0634 49 H10 -0.9203 -3.4969 5.7094 H 1 UNK 0.0633 50 H11 -0.5803 -2.6758 3.4156 H 1 UNK 0.0830 51 H12 -1.2244 3.0042 -3.2008 H 1 UNK 0.1487 52 H13 -2.5972 4.8723 -3.3132 H 1 UNK 0.0426 53 H14 -3.1135 4.4370 -1.6663 H 1 UNK 0.0426 54 H15 -1.6855 5.4720 -1.9070 H 1 UNK 0.0426 @BOND 1 1 2 1 2 1 39 1 3 1 40 1 4 1 41 1 5 2 7 ar 6 2 3 ar 7 3 4 ar 8 3 42 1 9 4 5 ar 10 4 37 1 11 5 6 ar 12 5 43 1 13 6 7 ar 14 6 33 1 15 7 8 1 16 8 9 am 17 8 44 1 18 9 10 2 19 9 11 1 20 11 25 ar 21 11 12 ar 22 12 13 ar 23 12 45 1 24 13 14 1 25 13 24 ar 26 14 15 1 27 14 46 1 28 14 47 1 29 15 23 ar 30 15 16 ar 31 16 17 ar 32 17 18 1 33 17 22 ar 34 18 19 1 35 18 20 1 36 18 21 1 37 22 23 ar 38 24 25 ar 39 25 26 1 40 26 31 ar 41 26 27 ar 42 27 28 ar 43 27 32 1 44 28 29 ar 45 28 48 1 46 29 30 ar 47 29 49 1 48 30 31 ar 49 30 50 1 50 33 34 2 51 33 35 am 52 35 36 1 53 35 51 1 54 36 52 1 55 36 53 1 56 36 54 1 57 37 38 3