@MOLECULE DB04008 42 46 1 SMALL USER_CHARGES @ATOM 1 Zn1 2.3290 -1.4585 -0.6707 Zn 1 noname 0.1496 2 N1 1.0876 -0.1181 0.0505 N.3 1 noname -0.0044 3 N2 2.3807 -2.4944 0.9947 N.3 1 noname -0.0044 4 C1 0.0147 0.5730 -0.3577 C.2 1 noname -0.0178 5 C2 1.1866 0.1286 1.3893 C.2 1 noname 0.1053 6 C3 2.4378 -3.7893 1.2917 C.2 1 noname -0.0178 7 C4 2.4603 -1.8328 2.1771 C.2 1 noname 0.1053 8 C5 -0.5564 1.2056 0.7625 C.2 1 noname 0.1302 9 C6 -0.5570 0.6861 -1.6619 C.2 1 noname -0.0155 10 N3 0.1947 0.9227 1.8314 N.2 1 noname -0.0384 11 C7 2.2464 -0.3765 2.3072 C.3 1 noname 0.1558 12 C8 2.6358 -3.9055 2.6746 C.2 1 noname 0.1302 13 C9 2.4683 -4.9114 0.4015 C.2 1 noname -0.0155 14 N4 2.6871 -2.6713 3.2103 N.2 1 noname -0.0384 15 C10 -1.7471 1.9830 0.6755 C.2 1 noname 0.0582 16 C11 -1.7457 1.4699 -1.7681 C.2 1 noname -0.0178 17 C12 2.8229 -5.1764 3.3005 C.2 1 noname 0.0582 18 C13 2.7381 -6.1708 1.0084 C.2 1 noname -0.0178 19 C14 -2.3316 2.1005 -0.6218 C.2 1 noname 0.0055 20 C15 2.8951 -6.3027 2.4265 C.2 1 noname 0.0055 21 C16 -3.4708 2.8277 -0.7736 C.2 1 noname -0.0713 22 C17 3.1192 -7.5357 2.9548 C.2 1 noname -0.0713 23 N5 -4.0052 2.9423 -1.9255 N.2 1 noname -0.2739 24 N6 -4.0190 3.4104 0.2637 N.3 1 noname -0.1368 25 N7 3.1869 -8.5539 2.1904 N.2 1 noname -0.2739 26 N8 3.2654 -7.6772 4.2489 N.3 1 noname -0.1368 27 H1 -0.1102 0.2004 -2.5295 H 1 noname 0.0644 28 H2 0.0438 1.2427 2.7774 H 1 noname 0.2947 29 H3 3.1768 0.0930 1.9876 H 1 noname 0.0513 30 H4 1.8752 -0.2171 3.3196 H 1 noname 0.0513 31 H5 2.2969 -4.8130 -0.6704 H 1 noname 0.0644 32 H6 2.8583 -2.4279 4.1755 H 1 noname 0.2947 33 H7 -2.1859 2.4606 1.5515 H 1 noname 0.0696 34 H8 -2.2157 1.5894 -2.7443 H 1 noname 0.0630 35 H9 2.9059 -5.2807 4.3823 H 1 noname 0.0696 36 H10 2.8263 -7.0527 0.3739 H 1 noname 0.0630 37 H11 -4.1824 2.0242 -2.3073 H 1 noname 0.1888 38 H12 -3.4571 3.6350 1.0723 H 1 noname 0.1257 39 H13 -5.0037 3.6350 0.2549 H 1 noname 0.1257 40 H14 3.2427 -9.3924 2.7508 H 1 noname 0.1888 41 H15 4.1909 -7.7317 4.6495 H 1 noname 0.1257 42 H16 2.4526 -7.7317 4.8459 H 1 noname 0.1257 @BOND 1 1 2 1 2 1 3 1 3 2 4 1 4 2 5 1 5 3 6 1 6 3 7 1 7 4 8 2 8 4 9 1 9 5 10 2 10 5 11 1 11 6 12 2 12 6 13 1 13 7 14 2 14 7 11 1 15 8 15 1 16 8 10 1 17 9 16 2 18 12 17 1 19 12 14 1 20 13 18 2 21 15 19 2 22 16 19 1 23 17 20 2 24 18 20 1 25 19 21 1 26 20 22 1 27 21 23 2 28 21 24 1 29 22 25 2 30 22 26 1 31 9 27 1 32 10 28 1 33 11 29 1 34 11 30 1 35 13 31 1 36 14 32 1 37 15 33 1 38 16 34 1 39 17 35 1 40 18 36 1 41 23 37 1 42 24 38 1 43 24 39 1 44 25 40 1 45 26 41 1 46 26 42 1 @SUBSTRUCTURE 1 noname 1