@MOLECULE ***** 45 45 0 0 0 SMALL GASTEIGER @ATOM 1 C1 -0.8290 -1.9810 -0.5030 C.2 1 <1> 0.1423 2 C2 -1.7300 -3.0520 -0.0010 C.2 1 <1> 0.3549 3 O1 -2.8230 -2.7660 0.4430 O.2 1 <1> -0.2434 4 C3 -2.5010 -0.2650 -0.0440 C.2 1 <1> -0.0516 5 C4 -3.0400 1.0900 -0.2350 C.ar 1 <1> -0.0110 6 C5 -4.3440 1.4050 0.2050 C.ar 1 <1> 0.0659 7 C6 -4.8390 2.6940 0.0170 C.ar 1 <1> -0.0472 8 C7 -4.0570 3.6520 -0.5960 C.ar 1 <1> -0.0609 9 C8 -2.7770 3.3440 -1.0280 C.ar 1 <1> -0.0612 10 C9 -5.1750 0.3770 0.8590 C.2 1 <1> 0.3374 11 N1 6.0870 0.9420 -1.4370 N.3 1 <1> -0.3184 12 C10 5.6290 1.0060 -0.0430 C.3 1 <1> 0.1032 13 C11 6.8190 0.9580 0.8800 C.2 1 <1> 0.3217 14 O2 7.8750 0.5260 0.4820 O.2 1 <1> -0.2493 15 C12 4.7110 -0.1830 0.2460 C.3 1 <1> -0.0273 16 C13 3.4430 -0.0680 -0.6020 C.3 1 <1> -0.0495 17 C14 2.5250 -1.2570 -0.3130 C.3 1 <1> -0.0333 18 C15 1.3160 -1.2080 -1.2490 C.3 1 <1> 0.0406 19 N2 0.3790 -2.2770 -0.8940 N.2 1 <1> -0.2770 20 O3 -1.3350 -4.3380 -0.0380 O.3 1 <1> -0.4761 21 C16 -1.3010 -0.5920 -0.5630 C.2 1 <1> -0.0292 22 C17 -2.2640 2.0760 -0.8480 C.ar 1 <1> -0.0538 23 O4 -6.4600 0.6450 1.1660 O.3 1 <1> -0.4771 24 O5 -4.7030 -0.7110 1.1210 O.2 1 <1> -0.2451 25 H1 -3.0670 -0.9980 0.5120 H 1 <1> 0.0624 26 H2 -5.8360 2.9430 0.3500 H 1 <1> 0.0626 27 H3 -4.4470 4.6480 -0.7440 H 1 <1> 0.0618 28 H4 -2.1750 4.1030 -1.5070 H 1 <1> 0.0618 29 H5 6.5980 0.0900 -1.6120 H 1 <1> 0.1190 30 H6 5.3130 1.0380 -2.0770 H 1 <1> 0.1190 31 H7 5.0810 1.9350 0.1170 H 1 <1> 0.0574 32 O6 6.7060 1.3960 2.1440 O.3 1 <1> -0.4795 33 H8 5.2290 -1.1100 0.0010 H 1 <1> 0.0286 34 H9 4.4420 -0.1860 1.3030 H 1 <1> 0.0286 35 H10 2.9250 0.8600 -0.3570 H 1 <1> 0.0266 36 H11 3.7120 -0.0650 -1.6590 H 1 <1> 0.0266 37 H12 3.0720 -2.1860 -0.4740 H 1 <1> 0.0283 38 H13 2.1850 -1.2100 0.7220 H 1 <1> 0.0283 39 H14 0.8200 -0.2420 -1.1520 H 1 <1> 0.0508 40 H15 1.6480 -1.3440 -2.2790 H 1 <1> 0.0508 41 H16 -1.9550 -4.9980 0.2990 H 1 <1> 0.2955 42 H17 -0.6860 0.1670 -1.0240 H 1 <1> 0.0641 43 H18 -1.2650 1.8440 -1.1870 H 1 <1> 0.0624 44 H19 -6.9650 -0.0600 1.5930 H 1 <1> 0.2954 45 H20 7.4970 1.3450 2.6980 H 1 <1> 0.2951 @BOND 1 13 12 1 2 13 14 2 3 8 9 ar 4 8 7 ar 5 9 22 ar 6 12 11 1 7 12 15 1 8 7 6 ar 9 22 5 ar 10 16 15 1 11 16 17 1 12 18 17 1 13 18 19 1 14 6 5 ar 15 6 10 1 16 5 4 1 17 24 10 2 18 21 4 2 19 21 1 1 20 10 23 1 21 19 1 2 22 1 2 1 23 2 3 2 24 2 20 1 25 4 25 1 26 7 26 1 27 8 27 1 28 9 28 1 29 11 29 1 30 11 30 1 31 12 31 1 32 13 32 1 33 15 33 1 34 15 34 1 35 16 35 1 36 16 36 1 37 17 37 1 38 17 38 1 39 18 39 1 40 18 40 1 41 20 41 1 42 21 42 1 43 22 43 1 44 23 44 1 45 32 45 1