@MOLECULE ***** 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 P 1.0020 5.2950 -0.1840 P.3 1 UNL1 0.4724 2 O -0.4400 5.9120 0.1830 O.3 1 UNL1 -0.3026 3 O 1.9150 5.4550 0.9690 O.2 1 UNL1 -0.2275 4 C 1.7600 -0.4760 -0.4000 C.3 1 UNL1 0.1678 5 C 0.9430 -0.7130 0.8960 C.3 1 UNL1 0.1395 6 O 0.4000 -2.0350 0.9220 O.3 1 UNL1 -0.3835 7 C -0.1810 0.3430 0.7670 C.3 1 UNL1 0.1612 8 O -1.3910 -0.2630 0.2410 O.3 1 UNL1 -0.4548 9 C 0.3840 1.3780 -0.2250 C.3 1 UNL1 0.1244 10 O 1.7140 0.9570 -0.5700 O.3 1 UNL1 -0.3445 11 C 0.4290 2.7590 0.4320 C.3 1 UNL1 0.0889 12 O 0.8430 3.7310 -0.5300 O.3 1 UNL1 -0.2841 13 N 3.1420 -0.9310 -0.2290 N.ar 1 UNL1 -0.2855 14 C 4.2060 -0.1610 0.1370 C.ar 1 UNL1 0.1004 15 N 5.2830 -0.8880 0.1930 N.ar 1 UNL1 -0.2306 16 C 5.7160 -3.3620 -0.2390 C.ar 1 UNL1 0.1472 17 N 7.0750 -3.3810 0.0190 N.pl3 1 UNL1 -0.3413 18 C 4.9810 -2.1680 -0.1320 C.ar 1 UNL1 0.1473 19 C 3.6020 -2.2130 -0.4000 C.ar 1 UNL1 0.1674 20 N 3.0470 -3.3710 -0.7410 N.ar 1 UNL1 -0.2159 21 C 3.7750 -4.4650 -0.8240 C.ar 1 UNL1 0.1205 22 N 5.0720 -4.4730 -0.5780 N.ar 1 UNL1 -0.2188 23 C -2.2730 -0.7390 1.1330 C.2 1 UNL1 0.3248 24 O -2.0420 -0.6520 2.3160 O.2 1 UNL1 -0.2491 25 C -3.5510 -1.3820 0.6610 C.3 1 UNL1 0.1074 26 N -4.1010 -2.2240 1.7310 N.3 1 UNL1 -0.3181 27 C -4.5640 -0.2950 0.2960 C.3 1 UNL1 -0.0020 28 C -5.7970 -0.9330 -0.2910 C.ar 1 UNL1 -0.0454 29 C -6.8410 -1.3070 0.5330 C.ar 1 UNL1 -0.0585 30 C -7.9710 -1.8930 -0.0060 C.ar 1 UNL1 -0.0615 31 C -8.0570 -2.1050 -1.3690 C.ar 1 UNL1 -0.0617 32 C -7.0120 -1.7320 -2.1940 C.ar 1 UNL1 -0.0615 33 C -5.8840 -1.1400 -1.6550 C.ar 1 UNL1 -0.0585 34 H -1.0900 5.8410 -0.5290 H 1 UNL1 0.2220 35 H 1.2930 -0.9810 -1.2460 H 1 UNL1 0.0867 36 H 1.5530 -0.5280 1.7800 H 1 UNL1 0.0677 37 H 1.0680 -2.7340 0.9110 H 1 UNL1 0.2101 38 H -0.3790 0.8090 1.7330 H 1 UNL1 0.0789 39 H -0.2400 1.4130 -1.1190 H 1 UNL1 0.0658 40 H -0.5620 3.0160 0.8040 H 1 UNL1 0.0593 41 H 1.1360 2.7440 1.2610 H 1 UNL1 0.0593 42 H 4.1610 0.8970 0.3480 H 1 UNL1 0.1030 43 H 7.5320 -2.5640 0.2760 H 1 UNL1 0.1438 44 H 7.5720 -4.2100 -0.0580 H 1 UNL1 0.1438 45 H 3.2930 -5.3900 -1.1040 H 1 UNL1 0.1048 46 H -3.3460 -1.9960 -0.2160 H 1 UNL1 0.0577 47 H -3.4780 -2.9890 1.9450 H 1 UNL1 0.1190 48 H -4.2990 -1.6780 2.5560 H 1 UNL1 0.1190 49 H -4.8370 0.2630 1.1920 H 1 UNL1 0.0334 50 H -4.1230 0.3830 -0.4340 H 1 UNL1 0.0334 51 H -6.7750 -1.1410 1.5980 H 1 UNL1 0.0620 52 H -8.7880 -2.1850 0.6380 H 1 UNL1 0.0618 53 H -8.9390 -2.5630 -1.7900 H 1 UNL1 0.0618 54 H -7.0800 -1.8930 -3.2590 H 1 UNL1 0.0618 55 H -5.0680 -0.8480 -2.2990 H 1 UNL1 0.0620 56 O 1.6070 6.0680 -1.4600 O.3 1 UNL1 -0.3026 57 H 1.7300 7.0180 -1.3230 H 1 UNL1 0.2220 @BOND 1 3 1 2 2 2 1 1 3 1 12 1 4 21 20 ar 5 21 22 ar 6 26 25 1 7 20 19 ar 8 12 11 1 9 32 33 ar 10 32 31 ar 11 22 16 ar 12 10 9 1 13 10 4 1 14 33 28 ar 15 9 11 1 16 9 7 1 17 8 23 1 18 8 7 1 19 25 23 1 20 25 27 1 21 19 13 ar 22 19 18 ar 23 4 13 1 24 4 5 1 25 31 30 ar 26 23 24 2 27 16 18 ar 28 16 17 1 29 7 5 1 30 13 14 ar 31 28 27 1 32 28 29 ar 33 18 15 ar 34 5 6 1 35 30 29 ar 36 14 15 ar 37 2 34 1 38 4 35 1 39 5 36 1 40 6 37 1 41 7 38 1 42 9 39 1 43 11 40 1 44 11 41 1 45 14 42 1 46 17 43 1 47 17 44 1 48 21 45 1 49 25 46 1 50 26 47 1 51 26 48 1 52 27 49 1 53 27 50 1 54 29 51 1 55 30 52 1 56 31 53 1 57 32 54 1 58 33 55 1 59 1 56 1 60 56 57 1