@MOLECULE FDBD01096 47 49 0 0 0 SMALL GASTEIGER @ATOM 1 O -1.0577 2.9656 0.1292 O.2 1 UNK -0.2756 2 O1 1.7340 1.8697 -1.6284 O.co2 1 UNK -0.5495 3 O2 2.1698 3.0417 0.2638 O.co2 1 UNK -0.5495 4 N -1.9440 0.8427 -0.0867 N.am 1 UNK -0.3009 5 C -3.9774 0.0177 -0.9692 C.3 1 UNK -0.0210 6 C1 -2.9972 -1.1533 -0.7874 C.3 1 UNK -0.0210 7 C2 -3.0381 1.2247 -0.9725 C.3 1 UNK 0.0178 8 C3 -1.9691 -0.5912 0.1979 C.3 1 UNK 0.0178 9 C4 -5.0132 0.1190 0.1602 C.3 1 UNK -0.0485 10 C5 -3.6503 -2.4625 -0.3549 C.3 1 UNK -0.0485 11 C6 -5.6984 -1.2163 0.4228 C.3 1 UNK -0.0527 12 C7 -4.6782 -2.2977 0.7601 C.3 1 UNK -0.0527 13 C8 -1.0316 1.7632 0.3964 C.2 1 UNK 0.2162 14 C9 0.0415 1.2044 1.2959 C.3 1 UNK 0.0324 15 C10 1.2521 0.7907 0.4584 C.3 1 UNK 0.0108 16 C11 2.3525 0.2076 1.3692 C.3 1 UNK -0.0193 17 C12 1.7761 2.0172 -0.2794 C.2 1 UNK 0.0456 18 C13 3.3647 -0.6281 0.6203 C.ar 1 UNK -0.0467 19 C14 3.1437 -1.9873 0.4704 C.ar 1 UNK -0.0586 20 C15 4.4939 -0.0187 0.0986 C.ar 1 UNK -0.0586 21 C16 4.0781 -2.7587 -0.2206 C.ar 1 UNK -0.0615 22 C17 5.4283 -0.7900 -0.5924 C.ar 1 UNK -0.0615 23 C18 5.2204 -2.1601 -0.7519 C.ar 1 UNK -0.0617 24 H -4.5752 -0.0794 -1.8513 H 1 UNK 0.0319 25 H1 -2.5486 -1.4614 -1.7087 H 1 UNK 0.0319 26 H2 -2.6746 1.4176 -1.9602 H 1 UNK 0.0467 27 H3 -3.5272 2.1201 -0.6500 H 1 UNK 0.0467 28 H4 -2.2732 -0.7721 1.2077 H 1 UNK 0.0467 29 H5 -1.0070 -1.0468 0.0898 H 1 UNK 0.0467 30 H6 -5.7544 0.8404 -0.1137 H 1 UNK 0.0269 31 H7 -4.5025 0.4115 1.0538 H 1 UNK 0.0269 32 H8 -2.8834 -3.1250 -0.0117 H 1 UNK 0.0269 33 H9 -4.1722 -2.8470 -1.2062 H 1 UNK 0.0269 34 H10 -6.2418 -1.5085 -0.4514 H 1 UNK 0.0265 35 H11 -6.3607 -1.1013 1.2553 H 1 UNK 0.0265 36 H12 -4.1716 -2.0284 1.6633 H 1 UNK 0.0265 37 H13 -5.1982 -3.2254 0.8777 H 1 UNK 0.0265 38 H14 -0.3396 0.3506 1.8162 H 1 UNK 0.0365 39 H15 0.3376 1.9525 2.0013 H 1 UNK 0.0365 40 H16 0.9660 0.0387 -0.2469 H 1 UNK 0.0368 41 H17 1.8885 -0.4060 2.1129 H 1 UNK 0.0319 42 H18 2.8788 1.0334 1.8004 H 1 UNK 0.0319 43 H19 2.2967 -2.4246 0.8658 H 1 UNK 0.0620 44 H20 4.6423 0.9953 0.2199 H 1 UNK 0.0620 45 H21 3.9242 -3.7723 -0.3387 H 1 UNK 0.0618 46 H22 6.2734 -0.3471 -0.9856 H 1 UNK 0.0618 47 H23 5.9118 -2.7308 -1.2630 H 1 UNK 0.0618 @BOND 1 1 13 2 2 2 17 ar 3 3 17 ar 4 4 7 1 5 4 8 1 6 4 13 am 7 5 6 1 8 5 7 1 9 5 9 1 10 6 8 1 11 6 10 1 12 9 11 1 13 10 12 1 14 11 12 1 15 13 14 1 16 14 15 1 17 15 16 1 18 15 17 1 19 16 18 1 20 18 19 ar 21 18 20 ar 22 19 21 ar 23 20 22 ar 24 21 23 ar 25 22 23 ar 26 5 24 1 27 6 25 1 28 7 26 1 29 7 27 1 30 8 28 1 31 8 29 1 32 9 30 1 33 9 31 1 34 10 32 1 35 10 33 1 36 11 34 1 37 11 35 1 38 12 36 1 39 12 37 1 40 14 38 1 41 14 39 1 42 15 40 1 43 16 41 1 44 16 42 1 45 19 43 1 46 20 44 1 47 21 45 1 48 22 46 1 49 23 47 1