@MOLECULE ***** 55 58 0 0 0 SMALL GASTEIGER @ATOM 1 C -0.7010 4.2240 -1.2320 C.3 1 UNL1 0.0789 2 O 0.2410 3.1820 -0.9660 O.3 1 UNL1 -0.4932 3 C -0.2500 2.0220 -0.4550 C.ar 1 UNL1 0.1417 4 C 0.6140 0.9640 -0.1720 C.ar 1 UNL1 0.0736 5 N 1.9850 1.0970 -0.4150 N.pl3 1 UNL1 -0.3116 6 C 2.8280 -0.0090 -0.2840 C.ar 1 UNL1 0.0317 7 C 2.4330 -1.2480 -0.7730 C.ar 1 UNL1 -0.0405 8 C 3.2680 -2.3390 -0.6420 C.ar 1 UNL1 -0.0597 9 C 4.4980 -2.2000 -0.0230 C.ar 1 UNL1 -0.0572 10 C 4.8940 -0.9690 0.4660 C.ar 1 UNL1 -0.0316 11 C 6.2340 -0.8230 1.1400 C.3 1 UNL1 0.0235 12 N 7.2510 -0.4780 0.1380 N.3 1 UNL1 -0.3042 13 C 6.9990 0.8530 -0.4320 C.3 1 UNL1 -0.0127 14 C 8.6020 -0.5580 0.7090 C.3 1 UNL1 -0.0127 15 C 4.0660 0.1280 0.3320 C.ar 1 UNL1 -0.0361 16 C 0.1140 -0.2210 0.3510 C.ar 1 UNL1 -0.0364 17 C -1.2380 -0.3550 0.5920 C.ar 1 UNL1 -0.0519 18 C -1.6040 1.8920 -0.2090 C.ar 1 UNL1 -0.0103 19 C -2.1050 0.6990 0.3110 C.ar 1 UNL1 -0.0107 20 C -3.5580 0.5550 0.5700 C.ar 1 UNL1 0.0276 21 C -4.2410 1.5340 1.2880 C.ar 1 UNL1 -0.0503 22 C -4.2480 -0.5620 0.0880 C.ar 1 UNL1 0.1697 23 O -3.5760 -1.5080 -0.6210 O.3 1 UNL1 -0.4843 24 C -4.2150 -2.7810 -0.7630 C.3 1 UNL1 0.1237 25 C -5.6790 -2.5420 -1.1560 C.3 1 UNL1 0.1237 26 O -6.2990 -1.7700 -0.1210 O.3 1 UNL1 -0.4849 27 C -5.6080 -0.6900 0.3350 C.ar 1 UNL1 0.1627 28 C -6.2750 0.2900 1.0560 C.ar 1 UNL1 -0.0162 29 C -5.5930 1.3970 1.5270 C.ar 1 UNL1 -0.0575 30 H -1.4370 3.8720 -1.9550 H 1 UNL1 0.0660 31 H -1.2050 4.5020 -0.3060 H 1 UNL1 0.0660 32 H -0.1790 5.0910 -1.6360 H 1 UNL1 0.0660 33 H 2.3500 1.9570 -0.6750 H 1 UNL1 0.1523 34 H 1.4730 -1.3580 -1.2560 H 1 UNL1 0.0636 35 H 2.9620 -3.3030 -1.0220 H 1 UNL1 0.0618 36 H 5.1490 -3.0560 0.0790 H 1 UNL1 0.0621 37 H 6.1790 -0.0330 1.8890 H 1 UNL1 0.0475 38 H 6.5030 -1.7630 1.6220 H 1 UNL1 0.0475 39 H 7.0240 1.5990 0.3630 H 1 UNL1 0.0391 40 H 7.7660 1.0830 -1.1710 H 1 UNL1 0.0391 41 H 6.0190 0.8640 -0.9100 H 1 UNL1 0.0391 42 H 8.7880 -1.5730 1.0600 H 1 UNL1 0.0391 43 H 9.3350 -0.2980 -0.0540 H 1 UNL1 0.0391 44 H 8.6850 0.1360 1.5450 H 1 UNL1 0.0391 45 H 4.3780 1.0900 0.7090 H 1 UNL1 0.0639 46 H 0.7840 -1.0390 0.5690 H 1 UNL1 0.0637 47 H -1.6260 -1.2800 0.9940 H 1 UNL1 0.0624 48 H -2.2730 2.7120 -0.4240 H 1 UNL1 0.0661 49 H -3.7120 2.3990 1.6590 H 1 UNL1 0.0625 50 H -3.7150 -3.3590 -1.5410 H 1 UNL1 0.0731 51 H -4.1700 -3.3230 0.1820 H 1 UNL1 0.0731 52 H -5.7230 -1.9960 -2.0980 H 1 UNL1 0.0731 53 H -6.1930 -3.4980 -1.2600 H 1 UNL1 0.0731 54 H -7.3340 0.1900 1.2460 H 1 UNL1 0.0655 55 H -6.1200 2.1550 2.0880 H 1 UNL1 0.0619 @BOND 1 28 29 ar 2 28 27 ar 3 26 27 1 4 26 25 1 5 29 21 ar 6 27 22 ar 7 25 24 1 8 21 20 ar 9 22 20 ar 10 22 23 1 11 20 19 1 12 24 23 1 13 17 19 ar 14 17 16 ar 15 19 18 ar 16 16 4 ar 17 18 3 ar 18 14 12 1 19 4 3 ar 20 4 5 1 21 8 7 ar 22 8 9 ar 23 7 6 ar 24 3 2 1 25 13 12 1 26 9 10 ar 27 6 5 1 28 6 15 ar 29 12 11 1 30 10 15 ar 31 10 11 1 32 2 1 1 33 1 30 1 34 1 31 1 35 1 32 1 36 5 33 1 37 7 34 1 38 8 35 1 39 9 36 1 40 11 37 1 41 11 38 1 42 13 39 1 43 13 40 1 44 13 41 1 45 14 42 1 46 14 43 1 47 14 44 1 48 15 45 1 49 16 46 1 50 17 47 1 51 18 48 1 52 21 49 1 53 24 50 1 54 24 51 1 55 25 52 1 56 25 53 1 57 28 54 1 58 29 55 1