@MOLECULE 56 58 1 SMALL USER_CHARGES @ATOM 1 C1 0.2503 -6.2691 1.1626 C.3 1 noname -0.0524 2 C2 1.1745 -5.0454 1.3715 C.3 1 noname -0.0046 3 N1 1.5934 -4.3962 0.0856 N.3 1 noname -0.3025 4 C3 2.5638 -5.1820 -0.7464 C.3 1 noname -0.0046 5 C4 2.3809 -4.9015 -2.2561 C.3 1 noname -0.0524 6 C5 1.9106 -2.9345 0.2148 C.3 1 noname 0.0112 7 C6 0.6345 -2.0771 0.0394 C.3 1 noname 0.0158 8 N2 0.9710 -0.6899 0.0728 N.3 1 noname -0.0756 9 C7 0.1105 0.3499 0.2493 C.2 1 noname 0.0170 10 O1 -1.1040 0.0865 0.4157 O.2 1 noname -0.2945 11 C8 0.5482 1.7103 0.2492 C.2 1 noname -0.0085 12 C9 -0.2844 2.8362 0.1853 C.2 1 noname -0.0626 13 N3 0.4841 3.9325 0.1854 N.3 1 noname -0.0495 14 C10 1.7867 3.6292 0.2928 C.2 1 noname -0.1177 15 C11 1.8625 2.2208 0.3145 C.2 1 noname -0.0110 16 C12 3.1036 1.4078 0.4095 C.3 1 noname 0.0141 17 C13 2.8466 4.5410 0.3448 C.2 1 noname -0.0058 18 C14 2.8507 5.8445 0.7110 C.2 1 noname 0.0499 19 C15 3.9749 6.6632 0.7407 C.2 1 noname -0.0017 20 C16 3.5715 7.9535 1.0857 C.2 1 noname 0.0040 21 C17 4.4717 9.0277 1.1817 C.2 1 noname -0.0196 22 C18 5.8400 8.7700 0.9683 C.2 1 noname -0.0112 23 C19 6.2801 7.4641 0.6528 C.2 1 noname -0.0073 24 C20 5.3473 6.4087 0.5193 C.2 1 noname 0.0026 25 Cl1 7.9326 7.1634 0.4452 Cl 1 noname -0.0846 26 N4 2.2628 7.9284 1.3167 N.3 1 noname -0.1339 27 C21 1.8188 6.6737 1.1370 C.2 1 noname 0.1008 28 O2 0.6285 6.3833 1.3813 O.2 1 noname -0.2754 29 C22 -1.7590 2.8940 0.1187 C.3 1 noname 0.0148 30 H1 -0.0503 -6.6670 2.1318 H 1 noname 0.0243 31 H2 -0.6351 -5.9646 0.6044 H 1 noname 0.0243 32 H3 0.7852 -7.0374 0.6044 H 1 noname 0.0243 33 H4 0.5827 -4.2948 1.8953 H 1 noname 0.0427 34 H5 2.0942 -5.4233 1.8180 H 1 noname 0.0427 35 H6 3.5529 -4.8136 -0.4742 H 1 noname 0.0427 36 H7 2.3096 -6.2299 -0.5868 H 1 noname 0.0427 37 H8 2.3155 -5.8462 -2.7959 H 1 noname 0.0243 38 H9 1.4656 -4.3303 -2.4112 H 1 noname 0.0243 39 H10 3.2326 -4.3303 -2.6253 H 1 noname 0.0243 40 H11 2.2525 -2.7917 1.2399 H 1 noname 0.0443 41 H12 2.5719 -2.6967 -0.6184 H 1 noname 0.0443 42 H13 0.2443 -2.2533 -0.9630 H 1 noname 0.0446 43 H14 -0.0031 -2.2385 0.9086 H 1 noname 0.0446 44 H15 1.9347 -0.4102 -0.0423 H 1 noname 0.1313 45 H16 0.1248 4.8737 0.1133 H 1 noname 0.1524 46 H17 3.3520 1.2451 1.4583 H 1 noname 0.0280 47 H18 2.9467 0.4467 -0.0801 H 1 noname 0.0280 48 H19 3.9221 1.9356 -0.0801 H 1 noname 0.0280 49 H20 3.8310 4.1757 0.0518 H 1 noname 0.0650 50 H21 4.1186 10.0321 1.4151 H 1 noname 0.0640 51 H22 6.5607 9.5839 1.0475 H 1 noname 0.0638 52 H23 5.6832 5.4078 0.2481 H 1 noname 0.0645 53 H24 1.7023 8.7254 1.5828 H 1 noname 0.1374 54 H25 -2.1680 2.9101 1.1289 H 1 noname 0.0293 55 H26 -2.0637 3.7967 -0.4110 H 1 noname 0.0293 56 H27 -2.1335 2.0181 -0.4110 H 1 noname 0.0293 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 3 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 9 10 2 10 9 11 1 11 11 12 2 12 12 13 1 13 13 14 1 14 14 15 2 15 11 15 1 16 15 16 1 17 14 17 1 18 17 18 2 19 18 19 1 20 19 20 2 21 20 21 1 22 21 22 2 23 22 23 1 24 23 24 2 25 19 24 1 26 23 25 1 27 20 26 1 28 26 27 1 29 18 27 1 30 27 28 2 31 12 29 1 32 1 30 1 33 1 31 1 34 1 32 1 35 2 33 1 36 2 34 1 37 4 35 1 38 4 36 1 39 5 37 1 40 5 38 1 41 5 39 1 42 6 40 1 43 6 41 1 44 7 42 1 45 7 43 1 46 8 44 1 47 13 45 1 48 16 46 1 49 16 47 1 50 16 48 1 51 17 49 1 52 21 50 1 53 22 51 1 54 24 52 1 55 26 53 1 56 29 54 1 57 29 55 1 58 29 56 1 @SUBSTRUCTURE 1 noname 1