@MOLECULE ***** 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 C -6.8910 1.4490 1.5550 C.ar 1 UNL1 -0.0607 2 C -5.6410 1.7690 1.0540 C.ar 1 UNL1 -0.0573 3 C -5.1110 1.0560 -0.0070 C.ar 1 UNL1 -0.0328 4 C -5.8270 0.0220 -0.5730 C.ar 1 UNL1 -0.0434 5 C -7.0890 -0.3060 -0.0730 C.ar 1 UNL1 0.0591 6 C -7.6150 0.4130 1.0020 C.ar 1 UNL1 -0.0478 7 C -1.3810 0.9590 -0.3330 C.3 1 UNL1 -0.0006 8 O -7.3990 -2.0390 -1.6070 O.2 1 UNL1 -0.2451 9 C -7.8610 -1.4120 -0.6750 C.2 1 UNL1 0.3368 10 O -9.0780 -1.7260 -0.1900 O.3 1 UNL1 -0.4771 11 C -3.7500 1.4120 -0.5460 C.3 1 UNL1 0.0213 12 N -2.7240 0.6380 0.1670 N.3 1 UNL1 -0.3119 13 C -0.3420 0.1360 0.4310 C.3 1 UNL1 -0.0035 14 C 1.0580 0.4710 -0.0890 C.3 1 UNL1 0.1190 15 O 2.0280 -0.2980 0.6250 O.2 1 UNL1 -0.3937 16 N 3.3630 -0.0620 0.2180 N.2 1 UNL1 -0.0910 17 C 4.3360 -0.6970 0.7880 C.2 1 UNL1 0.0900 18 C 5.7240 -0.4520 0.3640 C.ar 1 UNL1 0.0697 19 N 5.9960 0.4540 -0.6400 N.ar 1 UNL1 -0.3063 20 C 6.7550 -1.1150 0.9650 C.ar 1 UNL1 0.0279 21 C 8.0770 -0.8560 0.5360 C.ar 1 UNL1 0.2545 22 O 9.0150 -1.4350 1.0560 O.2 1 UNL1 -0.2677 23 N 8.2930 0.0340 -0.4520 N.ar 1 UNL1 -0.2751 24 C 7.2640 0.6800 -1.0290 C.ar 1 UNL1 0.3272 25 O 7.4830 1.4790 -1.9190 O.2 1 UNL1 -0.2467 26 H -7.2990 2.0100 2.3830 H 1 UNL1 0.0618 27 H -5.0770 2.5780 1.4940 H 1 UNL1 0.0621 28 H -5.4130 -0.5320 -1.4020 H 1 UNL1 0.0629 29 H -8.5900 0.1650 1.3940 H 1 UNL1 0.0626 30 H -1.3220 0.7220 -1.3950 H 1 UNL1 0.0425 31 H -1.1830 2.0210 -0.1860 H 1 UNL1 0.0425 32 H -9.5450 -2.4570 -0.6160 H 1 UNL1 0.2954 33 H -3.7070 1.1780 -1.6100 H 1 UNL1 0.0473 34 H -3.5680 2.4770 -0.4000 H 1 UNL1 0.0473 35 H -2.9070 -0.3520 0.1010 H 1 UNL1 0.1222 36 H -0.4010 0.3730 1.4940 H 1 UNL1 0.0311 37 H -0.5400 -0.9250 0.2850 H 1 UNL1 0.0311 38 H 1.1160 0.2340 -1.1510 H 1 UNL1 0.0724 39 H 1.2560 1.5320 0.0580 H 1 UNL1 0.0724 40 H 9.1990 0.2130 -0.7480 H 1 UNL1 0.1734 41 H 4.1290 -1.4080 1.5750 H 1 UNL1 0.0884 42 H 5.2680 0.9300 -1.0690 H 1 UNL1 0.1704 43 H 6.5640 -1.8240 1.7570 H 1 UNL1 0.0693 @BOND 1 1 26 1 2 2 1 ar 3 2 27 1 4 3 2 ar 5 4 3 ar 6 4 5 ar 7 4 28 1 8 5 6 ar 9 6 1 ar 10 6 29 1 11 7 12 1 12 7 30 1 13 7 31 1 14 8 9 2 15 9 5 1 16 9 10 1 17 10 32 1 18 11 3 1 19 11 33 1 20 11 34 1 21 12 11 1 22 12 35 1 23 13 7 1 24 13 36 1 25 13 37 1 26 14 13 1 27 14 38 1 28 14 39 1 29 15 14 1 30 16 15 1 31 17 16 2 32 18 17 1 33 19 18 ar 34 20 18 ar 35 21 20 ar 36 21 23 ar 37 22 21 2 38 23 24 ar 39 23 40 1 40 24 19 ar 41 25 24 2 42 17 41 1 43 19 42 1 44 20 43 1