@MOLECULE DB06148 40 43 1 SMALL USER_CHARGES @ATOM 1 N1 0.2872 -1.5309 0.3801 N.3 1 noname -0.1278 2 C1 0.9714 -0.7205 1.3338 C.2 1 noname -0.0331 3 C2 0.4798 -2.9440 0.1207 C.3 1 noname 0.0524 4 C3 -0.7113 -1.0319 -0.5685 C.3 1 noname 0.0166 5 C4 1.9321 -1.2281 2.3127 C.2 1 noname -0.0611 6 C5 0.6843 0.6950 1.3985 C.2 1 noname -0.0675 7 C6 0.6466 -3.8745 1.2679 C.2 1 noname -0.0454 8 C7 1.4210 -3.0285 -1.1152 C.3 1 noname 0.0182 9 C8 -0.1883 -1.1512 -2.0371 C.3 1 noname 0.0112 10 C9 2.4701 -0.4136 3.3519 C.2 1 noname -0.0632 11 C10 2.5240 -2.5719 2.3527 C.3 1 noname 0.0411 12 C11 1.2369 1.5157 2.4166 C.2 1 noname -0.0686 13 C12 1.5839 -3.6838 2.3352 C.2 1 noname -0.0447 14 C13 -0.2569 -4.9674 1.3115 C.2 1 noname -0.0519 15 N2 0.9328 -2.1421 -2.2379 N.3 1 noname -0.3031 16 C14 2.1005 0.9570 3.3931 C.2 1 noname -0.0914 17 C15 1.6839 -4.6103 3.4178 C.2 1 noname -0.0576 18 C16 -0.2038 -5.8640 2.4281 C.2 1 noname -0.0632 19 C17 2.0728 -1.4691 -2.8583 C.3 1 noname -0.0132 20 C18 0.7720 -5.7017 3.4658 C.2 1 noname -0.0613 21 H1 -0.5054 -3.3726 -0.0631 H 1 noname 0.0535 22 H2 -1.5656 -1.7012 -0.4665 H 1 noname 0.0448 23 H3 -0.8198 0.0287 -0.3415 H 1 noname 0.0448 24 H4 0.0318 1.1573 0.6578 H 1 noname 0.0639 25 H5 2.3837 -2.6189 -0.8092 H 1 noname 0.0450 26 H6 1.3582 -4.0492 -1.4924 H 1 noname 0.0450 27 H7 -1.0176 -1.5439 -2.6254 H 1 noname 0.0443 28 H8 0.2461 -0.1830 -2.2859 H 1 noname 0.0443 29 H9 3.1482 -0.8289 4.0974 H 1 noname 0.0626 30 H10 3.0959 -2.6668 1.4296 H 1 noname 0.0366 31 H11 3.0291 -2.6400 3.3162 H 1 noname 0.0366 32 H12 0.9974 2.5786 2.4488 H 1 noname 0.0623 33 H13 -0.9756 -5.1148 0.5053 H 1 noname 0.0626 34 H14 2.4871 1.5925 4.1897 H 1 noname 0.0622 35 H15 2.4410 -4.4870 4.1922 H 1 noname 0.0625 36 H16 -0.9186 -6.6846 2.4894 H 1 noname 0.0622 37 H17 2.7317 -1.0802 -2.0820 H 1 noname 0.0394 38 H18 2.6208 -2.1791 -3.4778 H 1 noname 0.0394 39 H19 1.7159 -0.6464 -3.4778 H 1 noname 0.0394 40 H20 0.8207 -6.4097 4.2931 H 1 noname 0.0622 @BOND 1 1 2 1 2 3 1 1 3 1 4 1 4 2 5 2 5 2 6 1 6 3 7 1 7 3 8 1 8 4 9 1 9 5 10 1 10 5 11 1 11 6 12 2 12 7 13 2 13 7 14 1 14 8 15 1 15 9 15 1 16 10 16 2 17 11 13 1 18 12 16 1 19 13 17 1 20 14 18 2 21 15 19 1 22 17 20 2 23 18 20 1 24 3 21 1 25 4 22 1 26 4 23 1 27 6 24 1 28 8 25 1 29 8 26 1 30 9 27 1 31 9 28 1 32 10 29 1 33 11 30 1 34 11 31 1 35 12 32 1 36 14 33 1 37 16 34 1 38 17 35 1 39 18 36 1 40 19 37 1 41 19 38 1 42 19 39 1 43 20 40 1 @SUBSTRUCTURE 1 noname 1