@MOLECULE C6D 36 35 0 0 0 SMALL GASTEIGER @ATOM 1 N1 4.2900 1.8210 -0.4390 N.3 1 <1> -0.3184 2 C1 4.2830 0.5870 0.3580 C.3 1 <1> 0.1033 3 C2 5.5760 -0.1560 0.1440 C.2 1 <1> 0.3217 4 O1 6.2510 0.0730 -0.8320 O.2 1 <1> -0.2493 5 C3 3.1100 -0.2940 -0.0760 C.3 1 <1> -0.0245 6 C4 1.7930 0.4100 0.2570 C.3 1 <1> -0.0203 7 C5 0.6200 -0.4710 -0.1770 C.3 1 <1> 0.0647 8 N2 -0.6410 0.2040 0.1410 N.pl3 1 <1> -0.2760 9 C6 -1.8390 -0.4010 -0.1590 C.cat 1 <1> 0.3785 10 N3 -1.8520 -1.5740 -0.7270 N.pl3 1 <1> -0.1296 11 N4 -3.0220 0.2320 0.1400 N.pl3 1 <1> -0.2759 12 C7 -5.4510 0.4960 0.2520 C.3 1 <1> 0.0010 13 C8 -4.2980 -0.4120 -0.1800 C.3 1 <1> 0.0667 14 C9 -6.7840 -0.1770 -0.0820 C.3 1 <1> 0.0471 15 O2 -7.8600 0.6720 0.3220 O.3 1 <1> -0.3949 16 H1 5.0170 2.4480 -0.1280 H 1 <1> 0.1190 17 H2 4.3860 1.6160 -1.4220 H 1 <1> 0.1190 18 H3 4.1790 0.8380 1.4140 H 1 <1> 0.0574 19 H4 3.1670 -0.4710 -1.1500 H 1 <1> 0.0286 20 H5 3.1560 -1.2460 0.4520 H 1 <1> 0.0286 21 H6 1.7370 0.5870 1.3310 H 1 <1> 0.0296 22 H7 1.7470 1.3630 -0.2710 H 1 <1> 0.0296 23 H8 0.6760 -0.6480 -1.2510 H 1 <1> 0.0655 24 H9 0.6660 -1.4230 0.3510 H 1 <1> 0.0655 25 H10 -0.6310 1.0770 0.5640 H 1 <1> 0.2579 26 H11 -2.6970 -2.0010 -0.9390 H 1 <1> 0.3062 27 H12 -3.0120 1.1050 0.5620 H 1 <1> 0.2579 28 H13 -5.3920 0.6720 1.3260 H 1 <1> 0.0318 29 H14 -5.3810 1.4470 -0.2760 H 1 <1> 0.0318 30 H15 -4.3580 -0.5880 -1.2550 H 1 <1> 0.0655 31 H16 -4.3680 -1.3630 0.3480 H 1 <1> 0.0655 32 H17 -6.8430 -0.3520 -1.1560 H 1 <1> 0.0558 33 H18 -6.8530 -1.1280 0.4460 H 1 <1> 0.0558 34 H19 -8.7370 0.3080 0.1400 H 1 <1> 0.2094 35 O3 5.9790 -1.0740 1.0370 O.3 1 <1> -0.4795 36 H20 6.8150 -1.5250 0.8570 H 1 <1> 0.2951 @BOND 1 1 2 1 2 14 15 1 3 14 12 1 4 12 13 1 5 2 3 1 6 2 5 1 7 13 11 1 8 6 5 1 9 6 7 1 10 3 4 2 11 8 7 1 12 8 9 1 13 11 9 1 14 9 10 2 15 1 16 1 16 1 17 1 17 2 18 1 18 5 19 1 19 5 20 1 20 6 21 1 21 6 22 1 22 7 23 1 23 7 24 1 24 8 25 1 25 10 26 1 26 11 27 1 27 12 28 1 28 12 29 1 29 13 30 1 30 13 31 1 31 14 32 1 32 14 33 1 33 15 34 1 34 3 35 1 35 35 36 1