@MOLECULE DB03443 45 49 1 SMALL USER_CHARGES @ATOM 1 Zn1 2.4961 -1.8518 -0.4310 Zn 1 noname 0.8807 2 N1 1.0186 -0.6193 -0.8341 N.2 1 noname -0.0405 3 N2 3.4485 -0.6856 0.8258 N.2 1 noname -0.0405 4 C1 0.7001 0.3194 0.0926 C.2 1 noname 0.1181 5 C2 0.3642 -0.2818 -1.9500 C.2 1 noname 0.1149 6 C3 2.6893 0.1471 1.5835 C.2 1 noname 0.1181 7 C4 4.7137 -0.4646 1.2094 C.2 1 noname 0.1149 8 N3 -0.1110 1.2692 -0.4232 N.3 1 noname 0.0594 9 C5 1.2102 0.3030 1.4878 C.2 1 noname 0.1612 10 C6 -0.3599 0.9030 -1.6924 C.2 1 noname 0.0048 11 C7 0.4230 -0.8718 -3.2445 C.2 1 noname 0.0296 12 N4 3.4298 0.8376 2.4710 N.3 1 noname 0.0594 13 C8 4.7061 0.5094 2.2358 C.2 1 noname 0.0048 14 C9 5.9230 -1.0550 0.7472 C.2 1 noname 0.0296 15 O1 0.4681 0.4100 2.4881 O.2 1 noname -0.2422 16 C10 -1.1469 1.5298 -2.6992 C.2 1 noname -0.0049 17 C11 -0.2954 -0.2044 -4.2804 C.2 1 noname -0.0187 18 C12 5.9031 1.0090 2.8157 C.2 1 noname -0.0049 19 C13 7.1407 -0.6402 1.3889 C.2 1 noname -0.0187 20 C14 -1.0799 0.9598 -4.0093 C.2 1 noname -0.0207 21 C15 7.1330 0.3969 2.3917 C.2 1 noname -0.0207 22 C16 -1.8307 1.5818 -5.0960 C.3 1 noname 0.0787 23 C17 8.3940 0.8317 2.9854 C.3 1 noname 0.0787 24 N5 -3.1659 0.9905 -5.1666 N.3 1 noname -0.3123 25 N6 -1.9462 3.0181 -4.8488 N.3 1 noname -0.3123 26 N7 8.9500 1.9309 2.1980 N.3 1 noname -0.3123 27 N8 9.3375 -0.2850 2.9976 N.3 1 noname -0.3123 28 H1 -0.4622 2.0911 0.0473 H 1 noname 0.1584 29 H2 0.9876 -1.7850 -3.4323 H 1 noname 0.0687 30 H3 3.0932 1.4774 3.1762 H 1 noname 0.1584 31 H4 5.9169 -1.7890 -0.0586 H 1 noname 0.0687 32 H5 -1.7670 2.3987 -2.4791 H 1 noname 0.0648 33 H6 -0.2439 -0.5914 -5.2981 H 1 noname 0.0628 34 H7 5.8791 1.8177 3.5461 H 1 noname 0.0648 35 H8 8.0806 -1.1175 1.1118 H 1 noname 0.0628 36 H9 -1.3086 1.4154 -6.0383 H 1 noname 0.0683 37 H10 8.2161 1.1690 4.0065 H 1 noname 0.0683 38 H11 -3.9813 1.5861 -5.1910 H 1 noname 0.1202 39 H12 -3.2730 -0.0135 -5.1910 H 1 noname 0.1202 40 H13 -1.1142 3.5843 -4.7635 H 1 noname 0.1202 41 H14 -2.8579 3.4441 -4.7635 H 1 noname 0.1202 42 H15 9.9225 1.9158 1.9260 H 1 noname 0.1202 43 H16 8.3615 2.7053 1.9260 H 1 noname 0.1202 44 H17 8.9953 -1.2353 3.0018 H 1 noname 0.1202 45 H18 10.3316 -0.1063 3.0018 H 1 noname 0.1202 @BOND 1 1 2 1 2 1 3 1 3 2 4 2 4 2 5 1 5 3 6 2 6 3 7 1 7 4 8 1 8 4 9 1 9 5 10 2 10 5 11 1 11 6 12 1 12 6 9 1 13 7 13 2 14 7 14 1 15 8 10 1 16 9 15 2 17 10 16 1 18 11 17 2 19 12 13 1 20 13 18 1 21 14 19 2 22 16 20 2 23 17 20 1 24 18 21 2 25 19 21 1 26 20 22 1 27 21 23 1 28 22 24 1 29 22 25 1 30 23 26 1 31 23 27 1 32 8 28 1 33 11 29 1 34 12 30 1 35 14 31 1 36 16 32 1 37 17 33 1 38 18 34 1 39 19 35 1 40 22 36 1 41 23 37 1 42 24 38 1 43 24 39 1 44 25 40 1 45 25 41 1 46 26 42 1 47 26 43 1 48 27 44 1 49 27 45 1 @SUBSTRUCTURE 1 noname 1