@MOLECULE DB01283 33 34 1 SMALL USER_CHARGES @ATOM 1 Cl1 0.3289 -1.2631 -1.7071 Cl 1 noname -0.0776 2 C1 0.3901 -0.1818 -0.4137 C.2 1 noname -0.0019 3 C2 1.4158 -0.2724 0.5200 C.2 1 noname 0.0483 4 C3 -0.5852 0.7997 -0.2817 C.2 1 noname -0.0331 5 N1 2.3560 -1.2187 0.3927 N.3 1 noname -0.0050 6 C4 1.4662 0.6185 1.5858 C.2 1 noname 0.0243 7 C5 -0.5349 1.6906 0.7841 C.2 1 noname -0.0609 8 C6 3.3704 -0.7442 -0.3431 C.2 1 noname -0.0328 9 F1 2.4262 0.5337 2.4597 F 1 noname -0.1615 10 C7 0.4908 1.6000 1.7178 C.2 1 noname -0.0088 11 C8 4.4703 -1.5504 -0.6123 C.2 1 noname -0.0508 12 C9 3.3229 0.5541 -0.8372 C.2 1 noname -0.0590 13 C10 5.5225 -1.0583 -1.3756 C.2 1 noname -0.0596 14 C11 4.5203 -2.9142 -0.0933 C.3 1 noname 0.0602 15 C12 4.3751 1.0462 -1.6005 C.2 1 noname -0.0663 16 C13 5.4750 0.2400 -1.8697 C.2 1 noname -0.0793 17 C14 3.9217 -3.8263 -1.0635 C.2 1 noname 0.1371 18 C15 6.5802 0.7569 -2.6715 C.3 1 noname -0.0061 19 O1 2.9255 -4.5112 -0.7455 O.2 1 noname -0.2543 20 O2 4.4440 -3.9301 -2.3040 O.3 1 noname -0.2177 21 H1 -1.3896 0.8707 -1.0139 H 1 noname 0.0638 22 H2 2.3076 -2.1460 0.7900 H 1 noname 0.1343 23 H3 -1.2997 2.4603 0.8876 H 1 noname 0.0624 24 H4 0.5304 2.2987 2.5535 H 1 noname 0.0653 25 H5 2.4604 1.1863 -0.6261 H 1 noname 0.0639 26 H6 6.3850 -1.6905 -1.5867 H 1 noname 0.0629 27 H7 5.5737 -3.1833 -0.0168 H 1 noname 0.0423 28 H8 3.8861 -2.9370 0.7929 H 1 noname 0.0423 29 H9 4.3378 2.0644 -1.9880 H 1 noname 0.0625 30 H10 7.3665 1.1247 -2.0122 H 1 noname 0.0279 31 H11 6.9767 -0.0401 -3.3004 H 1 noname 0.0279 32 H12 6.2227 1.5722 -3.3004 H 1 noname 0.0279 33 H13 4.5408 -4.8572 -2.5339 H 1 noname 0.2213 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 1 8 6 9 1 9 6 10 2 10 7 10 1 11 8 11 2 12 8 12 1 13 11 13 1 14 11 14 1 15 12 15 2 16 13 16 2 17 14 17 1 18 15 16 1 19 16 18 1 20 17 19 2 21 17 20 1 22 4 21 1 23 5 22 1 24 7 23 1 25 10 24 1 26 12 25 1 27 13 26 1 28 14 27 1 29 14 28 1 30 15 29 1 31 18 30 1 32 18 31 1 33 18 32 1 34 20 33 1 @SUBSTRUCTURE 1 noname 1