@MOLECULE DB01156 34 34 1 SMALL USER_CHARGES @ATOM 1 Cl1 2.0087 -0.9812 -4.6393 Cl 1 noname -0.0828 2 C1 1.6440 -0.1632 -3.2097 C.2 1 noname 0.0010 3 C2 2.6522 0.1251 -2.2973 C.2 1 noname 0.0152 4 C3 0.3352 0.2226 -2.9443 C.2 1 noname -0.0068 5 C4 2.3516 0.7991 -1.1194 C.2 1 noname -0.0076 6 C5 0.0347 0.8966 -1.7664 C.2 1 noname -0.0374 7 C6 3.3598 1.0874 -0.2069 C.2 1 noname 0.1018 8 C7 1.0429 1.1849 -0.8539 C.2 1 noname -0.0142 9 O1 3.0895 1.6935 0.8523 O.2 1 noname -0.2919 10 C8 4.7345 0.6821 -0.4857 C.3 1 noname 0.0684 11 N1 5.1993 -0.2205 0.5662 N.3 1 noname -0.3026 12 C9 4.7907 -0.0360 -1.8356 C.3 1 noname -0.0422 13 C10 6.5759 -0.6263 0.2870 C.3 1 noname 0.0104 14 C11 7.0624 -1.5709 1.3879 C.3 1 noname -0.0474 15 C12 7.4737 0.6118 0.2438 C.3 1 noname -0.0474 16 C13 6.6321 -1.3444 -1.0628 C.3 1 noname -0.0474 17 H1 3.6784 -0.1775 -2.5054 H 1 noname 0.0645 18 H2 -0.4554 -0.0034 -3.6598 H 1 noname 0.0638 19 H3 -0.9916 1.1992 -1.5582 H 1 noname 0.0623 20 H4 0.8072 1.7134 0.0698 H 1 noname 0.0630 21 H5 5.3608 1.5741 -0.4717 H 1 noname 0.0548 22 H6 4.6539 -0.5178 1.3626 H 1 noname 0.1234 23 H7 4.7839 -1.1139 -1.6742 H 1 noname 0.0251 24 H8 3.9248 0.2472 -2.4341 H 1 noname 0.0251 25 H9 5.7032 0.2472 -2.3601 H 1 noname 0.0251 26 H10 6.9214 -2.6036 1.0690 H 1 noname 0.0249 27 H11 8.1202 -1.3910 1.5797 H 1 noname 0.0249 28 H12 6.4921 -1.3910 2.2992 H 1 noname 0.0249 29 H13 7.7040 0.9293 1.2608 H 1 noname 0.0249 30 H14 8.3989 0.3716 -0.2801 H 1 noname 0.0249 31 H15 6.9580 1.4166 -0.2801 H 1 noname 0.0249 32 H16 6.6253 -2.4224 -0.9015 H 1 noname 0.0249 33 H17 5.7662 -1.0612 -1.6614 H 1 noname 0.0249 34 H18 7.5446 -1.0612 -1.5873 H 1 noname 0.0249 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 4 6 2 6 5 7 1 7 5 8 2 8 6 8 1 9 7 9 2 10 7 10 1 11 10 11 1 12 10 12 1 13 11 13 1 14 13 14 1 15 13 15 1 16 13 16 1 17 3 17 1 18 4 18 1 19 6 19 1 20 8 20 1 21 10 21 1 22 11 22 1 23 12 23 1 24 12 24 1 25 12 25 1 26 14 26 1 27 14 27 1 28 14 28 1 29 15 29 1 30 15 30 1 31 15 31 1 32 16 32 1 33 16 33 1 34 16 34 1 @SUBSTRUCTURE 1 noname 1