@MOLECULE l-655,708 44 47 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.7754 2.5902 1.2140 O.2 1 UNL1111111111 -0.4890 2 O 3.9435 -1.1122 -0.4175 O.3 1 UNL1111111111 -0.4072 3 O -5.5627 -0.1531 -0.6770 O.3 1 UNL1111111111 -0.2926 4 O 3.9631 0.4500 1.1981 O.2 1 UNL1111111111 -0.4856 5 N -0.1822 1.9235 -0.2315 N.am 1 UNL1111111111 -0.4934 6 N -0.2453 -1.0090 0.6035 N.ar 1 UNL1111111111 -0.2481 7 N 1.6086 -1.8102 1.5758 N.ar 1 UNL1111111111 -0.3232 8 C 0.5676 0.8345 -0.8891 C.3 1 UNL1111111111 0.1018 9 C 1.8543 1.5179 -1.3993 C.3 1 UNL1111111111 -0.2828 10 C 2.0923 2.6933 -0.4359 C.3 1 UNL1111111111 -0.2898 11 C 0.7014 3.0580 0.1175 C.3 1 UNL1111111111 -0.0513 12 C 0.8233 -0.2679 0.0860 C.ar 1 UNL1111111111 0.0035 13 C -1.3536 1.7277 0.4703 C.2 1 UNL1111111111 0.5666 14 C -1.6090 -0.8074 0.2833 C.ar 1 UNL1111111111 0.0766 15 C -2.1436 0.4897 0.1843 C.ar 1 UNL1111111111 -0.0842 16 C 1.9612 -0.7846 0.7078 C.ar 1 UNL1111111111 -0.0623 17 C 0.2788 -1.9365 1.5157 C.ar 1 UNL1111111111 0.0940 18 C -3.4806 0.6612 -0.1353 C.ar 1 UNL1111111111 -0.1762 19 C -2.4201 -1.9258 0.0632 C.ar 1 UNL1111111111 -0.1145 20 C 3.3697 -0.3937 0.5778 C.2 1 UNL1111111111 0.6337 21 C -4.2832 -0.4713 -0.3620 C.ar 1 UNL1111111111 0.2416 22 C -3.7631 -1.7623 -0.2599 C.ar 1 UNL1111111111 -0.2568 23 C 5.3429 -0.8735 -0.6401 C.3 1 UNL1111111111 0.0025 24 C -6.4638 -1.2284 -0.9083 C.3 1 UNL1111111111 -0.2068 25 C 5.6690 -1.7296 -1.8529 C.3 1 UNL1111111111 -0.4618 26 H -0.0441 0.4445 -1.7498 H 1 UNL1111111111 0.1629 27 H 1.7033 1.8841 -2.4315 H 1 UNL1111111111 0.1550 28 H 2.7108 0.8281 -1.4469 H 1 UNL1111111111 0.1588 29 H 2.7762 2.3981 0.3850 H 1 UNL1111111111 0.1704 30 H 2.5672 3.5466 -0.9425 H 1 UNL1111111111 0.1481 31 H 0.7170 3.2274 1.2160 H 1 UNL1111111111 0.1550 32 H 0.2890 3.9767 -0.3520 H 1 UNL1111111111 0.1484 33 H -0.3239 -2.6276 2.0806 H 1 UNL1111111111 0.1994 34 H -3.9196 1.6616 -0.1961 H 1 UNL1111111111 0.1996 35 H -1.9981 -2.9298 0.1343 H 1 UNL1111111111 0.1697 36 H -4.3849 -2.6366 -0.4297 H 1 UNL1111111111 0.1687 37 H 5.4999 0.2046 -0.8166 H 1 UNL1111111111 0.1317 38 H 5.8920 -1.1825 0.2670 H 1 UNL1111111111 0.1374 39 H -7.3997 -0.6969 -1.1337 H 1 UNL1111111111 0.1581 40 H -6.5818 -1.8419 -0.0098 H 1 UNL1111111111 0.1374 41 H -6.1495 -1.8270 -1.7684 H 1 UNL1111111111 0.1350 42 H 6.7304 -1.6605 -2.1135 H 1 UNL1111111111 0.1501 43 H 5.4338 -2.7867 -1.6652 H 1 UNL1111111111 0.1631 44 H 5.0816 -1.4251 -2.7285 H 1 UNL1111111111 0.1565 @BOND 1 1 13 2 2 2 20 1 3 2 23 1 4 3 21 1 5 3 24 1 6 4 20 2 7 5 8 1 8 5 11 1 9 5 13 am 10 6 12 ar 11 6 14 1 12 6 17 ar 13 7 16 ar 14 7 17 ar 15 8 9 1 16 8 12 1 17 8 26 1 18 9 10 1 19 9 27 1 20 9 28 1 21 10 11 1 22 10 29 1 23 10 30 1 24 11 31 1 25 11 32 1 26 12 16 ar 27 13 15 1 28 14 15 ar 29 14 19 ar 30 15 18 ar 31 16 20 1 32 17 33 1 33 18 21 ar 34 18 34 1 35 19 22 ar 36 19 35 1 37 21 22 ar 38 22 36 1 39 23 25 1 40 23 37 1 41 23 38 1 42 24 39 1 43 24 40 1 44 24 41 1 45 25 42 1 46 25 43 1 47 25 44 1