@MOLECULE FDBD00757 56 57 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6009 2.8847 0.5775 O.3 1 UNK -0.4664 2 O1 -1.5592 1.4954 2.1550 O.2 1 UNK -0.2484 3 O2 -3.0028 2.1841 -1.0478 O.2 1 UNK -0.2752 4 O3 6.5171 -1.5104 -0.1719 O.3 1 UNK -0.4678 5 O4 6.3308 0.7885 -0.1149 O.2 1 UNK -0.2506 6 N 2.1037 0.3448 -0.4672 N.4 1 UNK 0.2358 7 N1 -2.1110 0.1425 -0.2406 N.am 1 UNK -0.2544 8 C -0.7754 0.6072 0.0534 C.3 1 UNK 0.1480 9 C1 0.0725 -0.5180 0.6546 C.3 1 UNK 0.0199 10 C2 -0.1087 1.1780 -1.2019 C.3 1 UNK 0.0199 11 C3 1.5429 -0.1177 0.8087 C.3 1 UNK -0.0294 12 C4 1.3688 1.5108 -0.9741 C.3 1 UNK -0.0294 13 C5 -1.0354 1.6882 1.0661 C.2 1 UNK 0.3315 14 C6 3.5237 0.6619 -0.3164 C.3 1 UNK -0.0216 15 C7 -2.4352 -1.2575 0.0224 C.ar 1 UNK 0.0374 16 C8 -3.1284 0.9874 -0.7760 C.2 1 UNK 0.2205 17 C9 4.3557 -0.6172 -0.3172 C.3 1 UNK 0.0849 18 C10 -4.4857 0.3177 -0.9716 C.3 1 UNK 0.0217 19 C11 -2.2422 -2.2167 -0.9719 C.ar 1 UNK -0.0402 20 C12 -2.9370 -1.6355 1.2680 C.ar 1 UNK -0.0402 21 C13 5.8344 -0.3270 -0.1899 C.2 1 UNK 0.3119 22 C14 -5.5280 1.2576 -1.5579 C.3 1 UNK -0.0570 23 C15 -0.7887 4.0077 1.4445 C.3 1 UNK 0.0817 24 C16 -2.5512 -3.5535 -0.7209 C.ar 1 UNK -0.0600 25 C17 -3.2459 -2.9724 1.5189 C.ar 1 UNK -0.0600 26 C18 -3.0530 -3.9313 0.5245 C.ar 1 UNK -0.0616 27 C19 7.9392 -1.3996 -0.0536 C.3 1 UNK 0.0817 28 H 2.0078 -0.4097 -1.1469 H 1 UNK 0.2033 29 H1 0.0138 -1.3731 0.0141 H 1 UNK 0.0343 30 H2 -0.3124 -0.7334 1.6295 H 1 UNK 0.0343 31 H3 -0.6226 2.0717 -1.4885 H 1 UNK 0.0343 32 H4 -0.1625 0.4337 -1.9687 H 1 UNK 0.0343 33 H5 1.6165 0.6706 1.5285 H 1 UNK 0.0815 34 H6 2.0957 -0.9754 1.1308 H 1 UNK 0.0815 35 H7 1.8036 1.8214 -1.9011 H 1 UNK 0.0815 36 H8 1.4317 2.2933 -0.2470 H 1 UNK 0.0815 37 H9 3.6734 1.1796 0.6080 H 1 UNK 0.0820 38 H10 3.8315 1.2775 -1.1357 H 1 UNK 0.0820 39 H11 4.1836 -1.1415 -1.2339 H 1 UNK 0.0431 40 H12 4.0593 -1.2066 0.5252 H 1 UNK 0.0431 41 H13 -4.8350 -0.0306 -0.0221 H 1 UNK 0.0356 42 H14 -4.3512 -0.4865 -1.6645 H 1 UNK 0.0356 43 H15 -1.8708 -1.9372 -1.8933 H 1 UNK 0.0636 44 H16 -3.0797 -0.9261 2.0038 H 1 UNK 0.0636 45 H17 -5.6873 2.0763 -0.8876 H 1 UNK 0.0234 46 H18 -6.4470 0.7279 -1.6986 H 1 UNK 0.0234 47 H19 -5.1830 1.6298 -2.4999 H 1 UNK 0.0234 48 H20 -0.4165 4.8912 0.9694 H 1 UNK 0.0661 49 H21 -0.2586 3.8445 2.3595 H 1 UNK 0.0661 50 H22 -1.8314 4.1270 1.6528 H 1 UNK 0.0661 51 H23 -2.4086 -4.2630 -1.4566 H 1 UNK 0.0618 52 H24 -3.6172 -3.2520 2.4403 H 1 UNK 0.0618 53 H25 -3.2816 -4.9204 0.7102 H 1 UNK 0.0618 54 H26 8.3740 -2.3773 -0.0492 H 1 UNK 0.0661 55 H27 8.1831 -0.8967 0.8588 H 1 UNK 0.0661 56 H28 8.3236 -0.8420 -0.8820 H 1 UNK 0.0661 @BOND 1 1 13 1 2 1 23 1 3 2 13 2 4 3 16 2 5 4 21 1 6 4 27 1 7 5 21 2 8 6 11 1 9 6 12 1 10 6 14 1 11 7 8 1 12 7 15 1 13 7 16 am 14 8 9 1 15 8 10 1 16 8 13 1 17 9 11 1 18 10 12 1 19 14 17 1 20 15 19 ar 21 15 20 ar 22 16 18 1 23 17 21 1 24 18 22 1 25 19 24 ar 26 20 25 ar 27 24 26 ar 28 25 26 ar 29 6 28 1 30 9 29 1 31 9 30 1 32 10 31 1 33 10 32 1 34 11 33 1 35 11 34 1 36 12 35 1 37 12 36 1 38 14 37 1 39 14 38 1 40 17 39 1 41 17 40 1 42 18 41 1 43 18 42 1 44 19 43 1 45 20 44 1 46 22 45 1 47 22 46 1 48 22 47 1 49 23 48 1 50 23 49 1 51 23 50 1 52 24 51 1 53 25 52 1 54 26 53 1 55 27 54 1 56 27 55 1 57 27 56 1