@MOLECULE 92135815 22 24 1 SMALL USER_CHARGES @ATOM 1 N1 0.2615 0.2745 -0.8397 N.3 1 noname -0.2643 2 N2 2.4096 1.0263 0.2209 N.3 1 noname -0.2643 3 N3 0.2146 1.6031 1.2664 N.3 1 noname -0.2643 4 N4 1.0395 -0.7543 1.2983 N.3 1 noname -0.2643 5 C1 1.6679 0.7577 -1.0563 C.3 1 noname 0.0556 6 C2 -0.4440 1.3481 -0.0627 C.3 1 noname 0.0556 7 C3 0.3110 -0.9713 0.0020 C.3 1 noname 0.0556 8 C4 2.4288 -0.2689 0.9804 C.3 1 noname 0.0556 9 C5 0.2940 0.3175 2.0434 C.3 1 noname 0.0556 10 C6 1.6273 2.0427 1.0077 C.3 1 noname 0.0556 11 H1 2.9530 -1.0250 0.3961 H 1 noname 0.0603 12 H2 2.9427 -0.0915 1.9251 H 1 noname 0.0603 13 H3 -0.7040 -1.3111 0.2080 H 1 noname 0.0603 14 H4 0.8531 -1.7296 -0.5630 H 1 noname 0.0603 15 H5 -1.4828 1.0585 0.0961 H 1 noname 0.0603 16 H6 -0.4237 2.2697 -0.6443 H 1 noname 0.0603 17 H7 -0.7129 -0.0319 2.2716 H 1 noname 0.0603 18 H8 0.8211 0.5207 2.9756 H 1 noname 0.0603 19 H9 1.6201 2.9910 0.4703 H 1 noname 0.0603 20 H10 2.1247 2.1873 1.9667 H 1 noname 0.0603 21 H11 1.6517 1.6623 -1.6641 H 1 noname 0.0603 22 H12 2.2132 -0.0184 -1.5933 H 1 noname 0.0603 @BOND 1 1 5 1 2 1 6 1 3 1 7 1 4 2 5 1 5 2 8 1 6 2 10 1 7 3 6 1 8 3 9 1 9 3 10 1 10 4 7 1 11 4 8 1 12 4 9 1 13 5 21 1 14 5 22 1 15 6 15 1 16 6 16 1 17 7 13 1 18 7 14 1 19 8 11 1 20 8 12 1 21 9 17 1 22 9 18 1 23 10 19 1 24 10 20 1 @SUBSTRUCTURE 1 noname 1