@MOLECULE palgly 57 56 0 0 0 SMALL GASTEIGER @ATOM 1 C -9.6886 -0.3753 -0.0012 C.2 1 UNL1111111111 0.6215 2 O -9.7017 -1.5782 -0.0018 O.2 1 UNL1111111111 -0.5045 3 O -10.8309 0.3506 0.0042 O.3 1 UNL1111111111 -0.5491 4 C -8.4954 0.5419 -0.0069 C.3 1 UNL1111111111 -0.1315 5 N -7.2712 -0.2594 -0.0084 N.am 1 UNL1111111111 -0.6194 6 C -6.0553 0.4036 0.0025 C.2 1 UNL1111111111 0.5947 7 O -6.0361 1.6165 0.0104 O.2 1 UNL1111111111 -0.5317 8 C -4.8346 -0.4832 0.0023 C.3 1 UNL1111111111 -0.3601 9 C -3.5703 0.3828 0.0009 C.3 1 UNL1111111111 -0.2514 10 C -2.3134 -0.4929 0.0033 C.3 1 UNL1111111111 -0.2734 11 C -1.0531 0.3812 -0.0042 C.3 1 UNL1111111111 -0.2697 12 C 0.2126 -0.4849 0.0031 C.3 1 UNL1111111111 -0.2756 13 C 1.4673 0.3976 -0.0050 C.3 1 UNL1111111111 -0.2723 14 C 2.7371 -0.4620 0.0025 C.3 1 UNL1111111111 -0.2736 15 C 3.9906 0.4222 -0.0051 C.3 1 UNL1111111111 -0.2722 16 C 5.2585 -0.4409 0.0030 C.3 1 UNL1111111111 -0.2729 17 C 6.5143 0.4393 -0.0043 C.3 1 UNL1111111111 -0.2716 18 C 7.7807 -0.4261 0.0034 C.3 1 UNL1111111111 -0.2723 19 C 9.0378 0.4526 -0.0021 C.3 1 UNL1111111111 -0.2746 20 C 10.3033 -0.4140 0.0036 C.3 1 UNL1111111111 -0.2723 21 C 11.5638 0.4610 -0.0035 C.3 1 UNL1111111111 -0.2510 22 C 12.8265 -0.4009 0.0022 C.3 1 UNL1111111111 -0.4398 23 H -11.6540 -0.2021 0.0075 H 1 UNL1111111111 0.3623 24 H -8.5161 1.2280 0.8810 H 1 UNL1111111111 0.1936 25 H -8.5216 1.2226 -0.8987 H 1 UNL1111111111 0.1930 26 H -7.3719 -1.2621 -0.0121 H 1 UNL1111111111 0.3318 27 H -4.8413 -1.1499 -0.8839 H 1 UNL1111111111 0.1671 28 H -4.8409 -1.1480 0.8901 H 1 UNL1111111111 0.1673 29 H -3.5747 1.0605 0.8782 H 1 UNL1111111111 0.1547 30 H -3.5742 1.0570 -0.8788 H 1 UNL1111111111 0.1543 31 H -2.3120 -1.1633 -0.8765 H 1 UNL1111111111 0.1361 32 H -2.3096 -1.1531 0.8906 H 1 UNL1111111111 0.1362 33 H -1.0549 1.0559 0.8727 H 1 UNL1111111111 0.1394 34 H -1.0548 1.0402 -0.8931 H 1 UNL1111111111 0.1393 35 H 0.2176 -1.1580 -0.8742 H 1 UNL1111111111 0.1356 36 H 0.2182 -1.1442 0.8908 H 1 UNL1111111111 0.1357 37 H 1.4618 1.0711 0.8724 H 1 UNL1111111111 0.1374 38 H 1.4613 1.0565 -0.8936 H 1 UNL1111111111 0.1374 39 H 2.7441 -1.1358 -0.8744 H 1 UNL1111111111 0.1362 40 H 2.7438 -1.1206 0.8910 H 1 UNL1111111111 0.1362 41 H 3.9849 1.0959 0.8718 H 1 UNL1111111111 0.1367 42 H 3.9855 1.0812 -0.8933 H 1 UNL1111111111 0.1367 43 H 5.2638 -1.1143 -0.8743 H 1 UNL1111111111 0.1363 44 H 5.2628 -1.0998 0.8913 H 1 UNL1111111111 0.1364 45 H 6.5104 1.1128 0.8729 H 1 UNL1111111111 0.1365 46 H 6.5108 1.0977 -0.8929 H 1 UNL1111111111 0.1365 47 H 7.7853 -1.0988 -0.8745 H 1 UNL1111111111 0.1363 48 H 7.7837 -1.0859 0.8909 H 1 UNL1111111111 0.1364 49 H 9.0344 1.1242 0.8765 H 1 UNL1111111111 0.1364 50 H 9.0346 1.1130 -0.8891 H 1 UNL1111111111 0.1364 51 H 10.3062 -1.0865 -0.8742 H 1 UNL1111111111 0.1364 52 H 10.3071 -1.0741 0.8906 H 1 UNL1111111111 0.1364 53 H 11.5619 1.1341 0.8744 H 1 UNL1111111111 0.1336 54 H 11.5610 1.1208 -0.8914 H 1 UNL1111111111 0.1336 55 H 13.7304 0.2179 -0.0036 H 1 UNL1111111111 0.1400 56 H 12.8705 -1.0402 0.8910 H 1 UNL1111111111 0.1422 57 H 12.8688 -1.0543 -0.8763 H 1 UNL1111111111 0.1422 @BOND 1 1 2 2 2 1 3 1 3 1 4 1 4 3 23 1 5 4 5 1 6 4 24 1 7 4 25 1 8 5 6 am 9 5 26 1 10 6 7 2 11 6 8 1 12 8 9 1 13 8 27 1 14 8 28 1 15 9 10 1 16 9 29 1 17 9 30 1 18 10 11 1 19 10 31 1 20 10 32 1 21 11 12 1 22 11 33 1 23 11 34 1 24 12 13 1 25 12 35 1 26 12 36 1 27 13 14 1 28 13 37 1 29 13 38 1 30 14 15 1 31 14 39 1 32 14 40 1 33 15 16 1 34 15 41 1 35 15 42 1 36 16 17 1 37 16 43 1 38 16 44 1 39 17 18 1 40 17 45 1 41 17 46 1 42 18 19 1 43 18 47 1 44 18 48 1 45 19 20 1 46 19 49 1 47 19 50 1 48 20 21 1 49 20 51 1 50 20 52 1 51 21 22 1 52 21 53 1 53 21 54 1 54 22 55 1 55 22 56 1 56 22 57 1