@MOLECULE 92135810 33 36 1 SMALL USER_CHARGES @ATOM 1 Cl1 -1.3529 -0.7803 -6.1166 Cl 1 noname -0.0845 2 O1 1.8491 2.3069 -1.2074 O.3 1 noname -0.3669 3 N1 -0.2521 2.2902 -0.2220 N.3 1 noname -0.0870 4 N2 -1.2332 2.6796 1.6587 N.2 1 noname -0.2561 5 C1 0.7084 1.5006 -0.9416 C.3 1 noname 0.1768 6 C2 1.0820 0.5420 0.1348 C.2 1 noname -0.0074 7 C3 -0.4407 1.9221 1.0038 C.2 1 noname -0.0508 8 C4 -0.9396 3.4933 -0.4912 C.3 1 noname 0.0277 9 C5 0.3483 0.8638 1.3104 C.2 1 noname -0.0059 10 C6 0.1768 0.9124 -2.2761 C.2 1 noname -0.0283 11 C7 -1.6676 3.7187 0.8515 C.3 1 noname 0.0542 12 C8 2.1064 -0.4648 0.1737 C.2 1 noname -0.0328 13 C9 0.5698 0.2023 2.5588 C.2 1 noname -0.0306 14 C10 -0.9402 0.0852 -2.2750 C.2 1 noname -0.0318 15 C11 0.8179 1.2129 -3.4723 C.2 1 noname -0.0318 16 C12 2.3194 -1.1504 1.4095 C.2 1 noname -0.0514 17 C13 1.5650 -0.8167 2.5824 C.2 1 noname -0.0510 18 C14 -1.4162 -0.4415 -3.4700 C.2 1 noname -0.0219 19 C15 0.3419 0.6862 -4.6674 C.2 1 noname -0.0219 20 C16 -0.7752 -0.1410 -4.6662 C.2 1 noname -0.0115 21 H1 -1.6740 3.3238 -1.2787 H 1 noname 0.0455 22 H2 -0.2284 4.2887 -0.7137 H 1 noname 0.0455 23 H3 -2.7438 3.6354 0.6997 H 1 noname 0.0528 24 H4 -1.4084 4.6672 1.3219 H 1 noname 0.0528 25 H5 2.6628 -0.6829 -0.6528 H 1 noname 0.0627 26 H6 0.0393 0.4489 3.3943 H 1 noname 0.0630 27 H7 2.2363 2.6142 -0.3612 H 1 noname 0.2132 28 H8 -1.4107 -0.1353 -1.3972 H 1 noname 0.0627 29 H9 1.6376 1.8200 -3.4732 H 1 noname 0.0627 30 H10 3.0202 -1.8899 1.4580 H 1 noname 0.0622 31 H11 1.7446 -1.3193 3.4516 H 1 noname 0.0622 32 H12 -2.2359 -1.0486 -3.4692 H 1 noname 0.0638 33 H13 0.8123 0.9067 -5.5451 H 1 noname 0.0638 @BOND 1 1 20 1 2 5 2 1 3 2 27 1 4 3 5 1 5 3 7 1 6 3 8 1 7 4 7 2 8 4 11 1 9 5 6 1 10 5 10 1 11 6 9 1 12 6 12 2 13 7 9 1 14 8 11 1 15 8 21 1 16 8 22 1 17 9 13 2 18 10 14 2 19 10 15 1 20 11 23 1 21 11 24 1 22 12 16 1 23 12 25 1 24 13 17 1 25 13 26 1 26 14 18 1 27 14 28 1 28 15 19 2 29 15 29 1 30 16 17 2 31 16 30 1 32 17 31 1 33 18 20 2 34 18 32 1 35 19 20 1 36 19 33 1 @SUBSTRUCTURE 1 noname 1