@MOLECULE DB03093 36 38 1 SMALL USER_CHARGES @ATOM 1 F1 -0.3385 -3.3716 0.6456 F 1 noname -0.0937 2 C1 -0.1280 -2.1152 0.9094 C.2 1 noname 0.1115 3 N1 0.2128 -1.7088 2.1881 N.2 1 noname -0.1934 4 N2 -0.2390 -1.1644 -0.0742 N.2 1 noname -0.1748 5 C2 0.4465 -0.4053 2.5456 C.2 1 noname 0.0558 6 C3 0.0214 0.1428 0.2292 C.2 1 noname 0.0946 7 N3 0.7379 -0.0661 3.8087 N.3 1 noname -0.1074 8 C4 0.3655 0.5644 1.5183 C.2 1 noname 0.0200 9 N4 0.0866 1.2258 -0.5744 N.2 1 noname -0.1929 10 N5 0.6378 1.8730 1.4914 N.3 1 noname -0.0135 11 C5 0.4790 2.2545 0.2033 C.2 1 noname -0.0205 12 C6 0.7046 3.6121 -0.2842 C.3 1 noname 0.0776 13 C7 2.0966 3.7546 -0.7009 C.2 1 noname -0.0124 14 C8 2.5508 4.9681 -1.2040 C.2 1 noname -0.0086 15 C9 2.9677 2.6766 -0.5944 C.2 1 noname -0.0164 16 O1 1.7048 6.0150 -1.3074 O.3 1 noname -0.2783 17 C10 3.8761 5.1037 -1.6007 C.2 1 noname -0.0200 18 C11 4.2930 2.8122 -0.9911 C.2 1 noname -0.0116 19 C12 1.7387 6.7715 -0.1061 C.3 1 noname 0.0423 20 C13 4.7472 4.0258 -1.4943 C.2 1 noname -0.0225 21 O2 5.1390 1.7653 -0.8877 O.3 1 noname -0.2793 22 C14 5.1051 1.0089 -2.0890 C.3 1 noname 0.0423 23 H1 1.7000 0.0618 4.0882 H 1 noname 0.1258 24 H2 -0.0046 0.0618 4.4814 H 1 noname 0.1258 25 H3 0.9061 2.4498 2.2759 H 1 noname 0.1542 26 H4 0.0944 3.7304 -1.1796 H 1 noname 0.0396 27 H5 0.5607 4.2795 0.5655 H 1 noname 0.0396 28 H6 2.6116 1.7250 -0.1998 H 1 noname 0.0654 29 H7 4.2322 6.0553 -1.9953 H 1 noname 0.0651 30 H8 1.7629 6.0953 0.7484 H 1 noname 0.0535 31 H9 2.6293 7.3999 -0.0976 H 1 noname 0.0535 32 H10 0.8501 7.3999 -0.0472 H 1 noname 0.0535 33 H11 5.7864 4.1321 -1.8054 H 1 noname 0.0651 34 H12 5.1119 -0.0544 -1.8491 H 1 noname 0.0535 35 H13 4.1990 1.2502 -2.6448 H 1 noname 0.0535 36 H14 5.9783 1.2502 -2.6951 H 1 noname 0.0535 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 1 7 5 8 2 8 6 9 1 9 6 8 1 10 8 10 1 11 9 11 2 12 10 11 1 13 11 12 1 14 12 13 1 15 13 14 2 16 13 15 1 17 14 16 1 18 14 17 1 19 15 18 2 20 16 19 1 21 17 20 2 22 18 21 1 23 18 20 1 24 21 22 1 25 7 23 1 26 7 24 1 27 10 25 1 28 12 26 1 29 12 27 1 30 15 28 1 31 17 29 1 32 19 30 1 33 19 31 1 34 19 32 1 35 20 33 1 36 22 34 1 37 22 35 1 38 22 36 1 @SUBSTRUCTURE 1 noname 1