@MOLECULE 92043160 20 19 1 SMALL USER_CHARGES @ATOM 1 O1 -1.5141 2.1571 0.1617 O.3 1 noname 0.0000 2 N1 0.4794 -0.7003 -0.5304 N.1 1 noname 0.0000 3 C1 -0.3906 1.4498 -0.3422 C.3 1 noname 0.0000 4 C2 -0.5618 -0.0448 -0.0633 C.3 1 noname 0.0000 5 C3 0.8799 1.9545 0.3448 C.3 1 noname 0.0000 6 C4 -0.2794 1.6776 -1.8511 C.3 1 noname 0.0000 7 C5 -2.6932 1.6887 -0.4759 C.3 1 noname 0.0000 8 C6 1.3876 -1.2721 -0.9378 C.1 1 noname 0.0000 9 H1 -1.4669 -0.4044 -0.5528 H 1 noname 0.0000 10 H2 -0.6410 -0.2071 1.0116 H 1 noname 0.0000 11 H3 0.5830 1.1347 -2.2379 H 1 noname 0.0000 12 H4 -1.1845 1.3181 -2.3405 H 1 noname 0.0000 13 H5 -0.1574 2.7424 -2.0497 H 1 noname 0.0000 14 H6 1.7423 1.4116 -0.0420 H 1 noname 0.0000 15 H7 0.8007 1.7922 1.4197 H 1 noname 0.0000 16 H8 1.0019 3.0193 0.1461 H 1 noname 0.0000 17 H9 -3.5556 2.2316 -0.0890 H 1 noname 0.0000 18 H10 -2.8152 0.6239 -0.2772 H 1 noname 0.0000 19 H11 -2.6140 1.8510 -1.5508 H 1 noname 0.0000 20 H12 2.1171 -1.7313 -1.2650 H 1 noname 0.0000 @BOND 1 1 3 1 2 1 7 1 3 2 4 1 4 2 8 3 5 3 4 1 6 3 5 1 7 3 6 1 8 4 9 1 9 4 10 1 10 5 14 1 11 5 15 1 12 5 16 1 13 6 11 1 14 6 12 1 15 6 13 1 16 7 17 1 17 7 18 1 18 7 19 1 19 8 20 1 @SUBSTRUCTURE 1 noname 1