@MOLECULE DB03781 33 34 1 SMALL USER_CHARGES @ATOM 1 Cl1 0.3692 -0.5289 2.1658 Cl 1 noname -0.0677 2 C1 0.4165 0.2495 0.6699 C.2 1 noname 0.0313 3 C2 1.3132 -0.1721 -0.3049 C.2 1 noname 0.0374 4 C3 -0.4411 1.3126 0.4122 C.2 1 noname 0.0148 5 O1 2.1462 -1.2046 -0.0547 O.3 1 noname -0.1996 6 C4 1.3522 0.4693 -1.5375 C.2 1 noname -0.0045 7 C5 -0.4022 1.9540 -0.8203 C.2 1 noname -0.0113 8 C6 3.2948 -0.7370 0.4787 C.2 1 noname -0.0067 9 C7 0.4945 1.5324 -1.7952 C.2 1 noname -0.0150 10 Cl2 -1.4431 3.2442 -1.1331 Cl 1 noname -0.0854 11 C8 3.4604 0.6277 0.6848 C.2 1 noname -0.0127 12 C9 4.3118 -1.6201 0.8219 C.2 1 noname -0.0127 13 C10 4.6431 1.1091 1.2340 C.2 1 noname -0.0171 14 C11 5.4945 -1.1387 1.3711 C.2 1 noname -0.0171 15 C12 5.6601 0.2260 1.5772 C.2 1 noname -0.0056 16 O2 6.8087 0.6936 2.1106 O.3 1 noname -0.2672 17 C13 6.6912 0.7353 3.5251 C.3 1 noname 0.1466 18 C14 5.5352 1.6592 3.9137 C.2 1 noname 0.1502 19 C15 7.9334 1.2410 4.1019 C.3 1 noname -0.0284 20 O3 4.5693 1.2104 4.5681 O.2 1 noname -0.2450 21 O4 5.5583 2.9590 3.5499 O.3 1 noname -0.2104 22 H1 -1.1443 1.6432 1.1767 H 1 noname 0.0654 23 H2 2.0553 0.1387 -2.3019 H 1 noname 0.0651 24 H3 0.5251 2.0353 -2.7617 H 1 noname 0.0639 25 H4 2.6629 1.3202 0.4157 H 1 noname 0.0651 26 H5 4.1820 -2.6902 0.6603 H 1 noname 0.0651 27 H6 4.7729 2.1792 1.3956 H 1 noname 0.0651 28 H7 6.2920 -1.8312 1.6402 H 1 noname 0.0651 29 H8 6.5404 -0.2918 3.8574 H 1 noname 0.0715 30 H9 7.8664 1.2138 5.1895 H 1 noname 0.0262 31 H10 8.7661 0.6191 3.7735 H 1 noname 0.0262 32 H11 8.0950 2.2677 3.7735 H 1 noname 0.0262 33 H12 5.5681 3.5110 4.3352 H 1 noname 0.2214 @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 2 9 7 10 1 10 7 9 1 11 8 11 2 12 8 12 1 13 11 13 1 14 12 14 2 15 13 15 2 16 14 15 1 17 15 16 1 18 17 16 1 19 17 18 1 20 17 19 1 21 18 20 2 22 18 21 1 23 4 22 1 24 6 23 1 25 9 24 1 26 11 25 1 27 12 26 1 28 13 27 1 29 14 28 1 30 17 29 1 31 19 30 1 32 19 31 1 33 19 32 1 34 21 33 1 @SUBSTRUCTURE 1 noname 1