@MOLECULE Default_Mol 25 27 1 0 0 SMALL No Charge or Current Charge @ATOM 1 N1 0.9000 -0.7640 0.0000 NB 1 N2 -0.4347 2 C2 0.2200 -1.8350 0.0000 CB 1 N2 0.5714 3 C3 0.6740 -3.2190 0.0000 CA 1 N2 -0.2615 4 H4 1.7260 -3.4290 0.0000 HA 1 N2 0.2347 5 C5 -0.2720 -4.1610 0.0000 CA 1 N2 -0.0241 6 H6 -0.0210 -5.2050 0.0000 HA 1 N2 0.1869 7 C7 -1.6930 -3.8090 0.0000 CA 1 N2 0.0866 8 H8 -2.3950 -4.6240 0.0000 HA 1 N2 0.2252 9 C9 -2.1930 -2.5210 0.0000 CA 1 N2 -0.2458 10 H10 -3.2480 -2.3240 0.0000 HA 1 N2 0.2146 11 C11 -1.2370 -1.5300 0.0000 CB 1 N2 0.2539 12 N12 -1.2940 -0.1980 0.0000 N* 1 N2 -0.3287 13 H13 -2.1350 0.3420 0.0000 H 1 N2 0.3765 14 C14 0.0000 0.3010 0.0000 CK 1 N2 0.3746 15 C15 0.3950 1.6080 0.0000 CA 1 N2 0.0697 16 C16 1.8110 1.8940 0.0000 CA 1 N2 0.0458 17 H17 2.5060 1.0770 0.0000 HA 1 N2 0.1440 18 C18 2.2470 3.1840 0.0000 CA 1 N2 -0.1007 19 H19 3.2960 3.4100 0.0000 HA 1 N2 0.1728 20 C20 1.3070 4.2220 0.0000 CA 1 N2 0.0700 21 H21 1.6530 5.2400 0.0000 HA 1 N2 0.2062 22 C22 -0.0910 3.9800 0.0000 CA 1 N2 -0.0356 23 H23 -0.7720 4.8090 0.0000 HA 1 N2 0.1705 24 C24 -0.5430 2.7060 0.0000 CA 1 N2 -0.1582 25 H25 -1.6010 2.5230 0.0000 HA 1 N2 0.1859 @BOND 1 1 2 1 2 1 14 2 3 2 3 ar 4 2 11 ar 5 3 4 1 6 3 5 ar 7 5 6 1 8 5 7 ar 9 7 8 1 10 7 9 ar 11 9 10 1 12 9 11 ar 13 11 12 1 14 12 13 1 15 12 14 1 16 14 15 1 17 15 16 ar 18 15 24 ar 19 16 17 1 20 16 18 ar 21 18 19 1 22 18 20 ar 23 20 21 1 24 20 22 ar 25 22 23 1 26 22 24 ar 27 24 25 1 @SUBSTRUCTURE 1 N2 1 TEMP 0 **** **** 0 ROOT