@MOLECULE CJO 44 45 0 0 0 SMALL GASTEIGER @ATOM 1 N 0.8230 1.9480 -1.6110 N.3 1 UNL1 -0.3226 2 C 1.5250 2.0940 -0.3290 C.3 1 UNL1 0.0632 3 C 0.8220 3.1550 0.5200 C.3 1 UNL1 0.0705 4 C 0.7220 4.4590 -0.2740 C.3 1 UNL1 -0.0374 5 O -0.4910 2.7020 0.8570 O.3 1 UNL1 -0.3904 6 C 1.5140 0.7570 0.4140 C.3 1 UNL1 0.0959 7 N 0.1270 0.2520 0.5340 N.3 1 UNL1 -0.2860 8 N 2.2520 -0.2540 -0.3540 N.am 1 UNL1 -0.2723 9 C 1.3810 -1.0560 -0.9980 C.2 1 UNL1 0.2347 10 O 1.6740 -1.9850 -1.7210 O.2 1 UNL1 -0.2738 11 C -0.0250 -0.6040 -0.6670 C.3 1 UNL1 0.0904 12 C 3.7110 -0.3720 -0.4120 C.3 1 UNL1 0.1132 13 C 4.1850 -1.2830 0.6910 C.2 1 UNL1 0.3223 14 O 5.4950 -1.5400 0.8320 O.3 1 UNL1 -0.4795 15 C -0.9120 -1.8100 -0.3520 C.3 1 UNL1 -0.0037 16 C -2.3250 -1.3450 -0.1100 C.ar 1 UNL1 -0.0452 17 C -3.2130 -1.2590 -1.1660 C.ar 1 UNL1 -0.0551 18 C -2.7320 -1.0100 1.1680 C.ar 1 UNL1 -0.0551 19 C -4.5090 -0.8330 -0.9470 C.ar 1 UNL1 -0.0199 20 C -4.0270 -0.5840 1.3920 C.ar 1 UNL1 -0.0199 21 C -4.9190 -0.4910 0.3330 C.ar 1 UNL1 0.1169 22 O -6.1930 -0.0720 0.5510 O.3 1 UNL1 -0.5068 23 O 3.3860 -1.7830 1.4470 O.2 1 UNL1 -0.2492 24 H -0.1350 1.6650 -1.4680 H 1 UNL1 0.1186 25 H 0.8720 2.8000 -2.1490 H 1 UNL1 0.1186 26 H 2.5550 2.4000 -0.5120 H 1 UNL1 0.0515 27 H 1.3920 3.3280 1.4320 H 1 UNL1 0.0607 28 H 0.1520 4.2870 -1.1860 H 1 UNL1 0.0255 29 H 0.2210 5.2150 0.3310 H 1 UNL1 0.0255 30 H 1.7230 4.8050 -0.5310 H 1 UNL1 0.0255 31 H -1.0560 2.5280 0.0920 H 1 UNL1 0.2098 32 H -0.4430 -0.0290 -1.4930 H 1 UNL1 0.0560 33 H 4.0040 -0.7850 -1.3770 H 1 UNL1 0.0580 34 H 4.1600 0.6130 -0.2870 H 1 UNL1 0.0580 35 H 5.7510 -2.1310 1.5540 H 1 UNL1 0.2951 36 H -0.8960 -2.5030 -1.1940 H 1 UNL1 0.0333 37 H -0.5380 -2.3140 0.5400 H 1 UNL1 0.0333 38 H -2.8940 -1.5250 -2.1630 H 1 UNL1 0.0621 39 H -2.0380 -1.0820 1.9920 H 1 UNL1 0.0621 40 H -5.2020 -0.7650 -1.7730 H 1 UNL1 0.0654 41 H -4.3450 -0.3230 2.3910 H 1 UNL1 0.0654 42 H -6.3110 0.8850 0.4770 H 1 UNL1 0.2921 43 H 1.9570 0.8740 1.4030 H 1 UNL1 0.0686 44 H 0.0100 -0.2860 1.3790 H 1 UNL1 0.1244 @BOND 1 2 1 1 2 1 24 1 3 1 25 1 4 6 2 1 5 2 3 1 6 2 26 1 7 3 5 1 8 3 4 1 9 3 27 1 10 4 28 1 11 4 29 1 12 4 30 1 13 5 31 1 14 8 6 1 15 6 7 1 16 11 7 1 17 9 8 am 18 12 8 1 19 10 9 2 20 9 11 1 21 15 11 1 22 11 32 1 23 12 13 1 24 12 33 1 25 12 34 1 26 23 13 2 27 13 14 1 28 14 35 1 29 15 16 1 30 15 36 1 31 15 37 1 32 18 16 ar 33 16 17 ar 34 17 19 ar 35 17 38 1 36 18 20 ar 37 18 39 1 38 21 19 ar 39 19 40 1 40 20 21 ar 41 20 41 1 42 21 22 1 43 22 42 1 44 6 43 1 45 7 44 1