@MOLECULE CVT 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 C 5.9110 -0.2160 0.0680 C.ar 1 UNL1 -0.0173 2 C -2.8520 -1.3410 -0.1570 C.ar 1 UNL1 -0.0039 3 C 6.7230 0.9270 -0.0170 C.ar 1 UNL1 -0.0540 4 C 6.1700 2.1680 -0.1000 C.ar 1 UNL1 -0.0606 5 C 2.4730 1.4690 -0.0360 C.2 1 UNL1 0.0534 6 C 3.6890 -1.2080 0.1380 C.ar 1 UNL1 -0.0534 7 C 4.2620 -2.4420 0.2210 C.ar 1 UNL1 -0.0611 8 C 5.6480 -2.5870 0.2360 C.ar 1 UNL1 -0.0612 9 C 6.4680 -1.5030 0.1550 C.ar 1 UNL1 -0.0540 10 C -0.5340 -0.4360 -0.1130 C.2 1 UNL1 0.2635 11 C -1.9960 -0.2370 -0.1180 C.ar 1 UNL1 0.0455 12 N 1.6790 0.4420 -0.0720 N.2 1 UNL1 -0.1874 13 N 0.2900 0.6300 -0.0760 N.am 1 UNL1 -0.2030 14 C 4.5020 -0.0710 0.0600 C.ar 1 UNL1 -0.0092 15 C 4.7950 2.3580 -0.1050 C.ar 1 UNL1 -0.0525 16 C -4.2210 -1.1530 -0.1670 C.ar 1 UNL1 0.1659 17 C -4.7480 0.1360 -0.1340 C.ar 1 UNL1 0.2035 18 C -3.8980 1.2370 -0.0900 C.ar 1 UNL1 0.1659 19 C -2.5270 1.0550 -0.0850 C.ar 1 UNL1 -0.0039 20 C -3.4850 3.5790 -0.0140 C.3 1 UNL1 0.0790 21 C 3.9310 1.2720 -0.0310 C.ar 1 UNL1 0.0022 22 C -6.7530 0.3670 1.1230 C.3 1 UNL1 0.0791 23 C -4.4460 -3.5190 -0.2430 C.3 1 UNL1 0.0790 24 O -0.0730 -1.5610 -0.1430 O.2 1 UNL1 -0.2684 25 O -5.0550 -2.2260 -0.2100 O.3 1 UNL1 -0.4913 26 O -6.0950 0.3190 -0.1440 O.3 1 UNL1 -0.4885 27 O -4.4150 2.4950 -0.0580 O.3 1 UNL1 -0.4913 28 H -2.4440 -2.3410 -0.1830 H 1 UNL1 0.0663 29 H 7.7980 0.8210 -0.0160 H 1 UNL1 0.0624 30 H 6.8190 3.0290 -0.1640 H 1 UNL1 0.0618 31 H 2.0640 2.4680 -0.0100 H 1 UNL1 0.0851 32 H 2.6130 -1.1080 0.1280 H 1 UNL1 0.0624 33 H 3.6340 -3.3180 0.2760 H 1 UNL1 0.0618 34 H 6.0780 -3.5760 0.3030 H 1 UNL1 0.0618 35 H 7.5400 -1.6330 0.1580 H 1 UNL1 0.0624 36 H -0.0780 1.5270 -0.0530 H 1 UNL1 0.1776 37 H 4.3920 3.3580 -0.1720 H 1 UNL1 0.0624 38 H -1.8680 1.9090 -0.0510 H 1 UNL1 0.0663 39 H -2.8690 3.4930 0.8810 H 1 UNL1 0.0660 40 H -2.8480 3.5460 -0.8980 H 1 UNL1 0.0660 41 H -4.0290 4.5230 0.0080 H 1 UNL1 0.0660 42 H -7.8220 0.5160 0.9720 H 1 UNL1 0.0660 43 H -6.5890 -0.5710 1.6540 H 1 UNL1 0.0660 44 H -6.3500 1.1920 1.7110 H 1 UNL1 0.0660 45 H -3.8160 -3.6020 -1.1280 H 1 UNL1 0.0660 46 H -3.8370 -3.6570 0.6500 H 1 UNL1 0.0660 47 H -5.2210 -4.2850 -0.2760 H 1 UNL1 0.0660 @BOND 1 20 27 1 2 27 18 1 3 22 26 1 4 26 17 1 5 18 17 ar 6 18 19 ar 7 17 16 ar 8 19 11 ar 9 16 25 1 10 16 2 ar 11 25 23 1 12 11 2 ar 13 11 10 1 14 24 10 2 15 10 13 am 16 13 12 1 17 12 5 2 18 15 4 ar 19 15 21 ar 20 5 21 1 21 4 3 ar 22 21 14 ar 23 3 1 ar 24 14 1 ar 25 14 6 ar 26 1 9 ar 27 6 7 ar 28 9 8 ar 29 7 8 ar 30 2 28 1 31 3 29 1 32 4 30 1 33 5 31 1 34 6 32 1 35 7 33 1 36 8 34 1 37 9 35 1 38 13 36 1 39 15 37 1 40 19 38 1 41 20 39 1 42 20 40 1 43 20 41 1 44 22 42 1 45 22 43 1 46 22 44 1 47 23 45 1 48 23 46 1 49 23 47 1