@MOLECULE FDBD02000 42 43 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0604 1.4784 0.1339 C.3 1 UNK -0.0423 2 C1 -0.0055 -0.0492 0.0688 C.3 1 UNK 0.0482 3 C2 0.7971 -0.5818 1.2575 C.3 1 UNK -0.0423 4 C3 -1.4269 -0.6132 0.1195 C.3 1 UNK -0.0423 5 N 0.6394 -0.4619 -1.1801 N.am 1 UNK -0.2108 6 C4 1.9045 -0.0792 -1.4438 C.2 1 UNK 0.2632 7 O 2.4778 0.6842 -0.6915 O.2 1 UNK -0.2684 8 C5 2.5950 -0.5878 -2.6481 C.ar 1 UNK 0.0384 9 C6 1.8555 -1.0149 -3.7522 C.ar 1 UNK -0.0496 10 C7 2.5059 -1.4880 -4.8730 C.ar 1 UNK -0.0610 11 C8 3.8882 -1.5397 -4.9042 C.ar 1 UNK -0.0617 12 C9 4.6272 -1.1183 -3.8130 C.ar 1 UNK -0.0610 13 C10 3.9892 -0.6377 -2.6882 C.ar 1 UNK -0.0496 14 N1 -0.0589 -1.2545 -2.1005 N.am 1 UNK -0.2271 15 C11 -1.0436 -0.7136 -2.8449 C.2 1 UNK 0.2603 16 O1 -1.3259 0.4619 -2.7178 O.2 1 UNK -0.2687 17 C12 -1.7805 -1.5499 -3.8162 C.ar 1 UNK 0.0382 18 C13 -1.4628 -2.9014 -3.9604 C.ar 1 UNK -0.0496 19 C14 -2.1546 -3.6764 -4.8682 C.ar 1 UNK -0.0610 20 C15 -3.1611 -3.1166 -5.6350 C.ar 1 UNK -0.0617 21 C16 -3.4807 -1.7775 -5.4972 C.ar 1 UNK -0.0610 22 C17 -2.8009 -0.9929 -4.5887 C.ar 1 UNK -0.0496 23 H 0.9523 1.8802 0.0979 H 1 UNK 0.0251 24 H1 -0.6322 1.8579 -0.7129 H 1 UNK 0.0251 25 H2 -0.5402 1.7855 1.0632 H 1 UNK 0.0251 26 H3 0.3173 -0.2748 2.1868 H 1 UNK 0.0251 27 H4 0.8362 -1.6701 1.2111 H 1 UNK 0.0251 28 H5 1.8097 -0.1800 1.2214 H 1 UNK 0.0251 29 H6 -1.9987 -0.2337 -0.7274 H 1 UNK 0.0251 30 H7 -1.3878 -1.7015 0.0731 H 1 UNK 0.0251 31 H8 -1.9067 -0.3061 1.0487 H 1 UNK 0.0251 32 H9 0.7764 -0.9754 -3.7289 H 1 UNK 0.0625 33 H10 1.9349 -1.8191 -5.7278 H 1 UNK 0.0618 34 H11 4.3926 -1.9109 -5.7841 H 1 UNK 0.0618 35 H12 5.7059 -1.1619 -3.8435 H 1 UNK 0.0618 36 H13 4.5672 -0.3090 -1.8371 H 1 UNK 0.0625 37 H14 0.1664 -2.1925 -2.2019 H 1 UNK 0.1734 38 H15 -0.6769 -3.3393 -3.3630 H 1 UNK 0.0625 39 H16 -1.9097 -4.7222 -4.9808 H 1 UNK 0.0618 40 H17 -3.6994 -3.7276 -6.3444 H 1 UNK 0.0618 41 H18 -4.2672 -1.3466 -6.0990 H 1 UNK 0.0618 42 H19 -3.0515 0.0522 -4.4818 H 1 UNK 0.0625 @BOND 1 1 2 1 2 1 23 1 3 1 24 1 4 1 25 1 5 2 3 1 6 2 4 1 7 2 5 1 8 3 26 1 9 3 27 1 10 3 28 1 11 4 29 1 12 4 30 1 13 4 31 1 14 5 6 am 15 5 14 1 16 6 7 2 17 6 8 1 18 8 13 ar 19 8 9 ar 20 9 10 ar 21 9 32 1 22 10 11 ar 23 10 33 1 24 11 12 ar 25 11 34 1 26 12 13 ar 27 12 35 1 28 13 36 1 29 14 15 am 30 14 37 1 31 15 16 2 32 15 17 1 33 17 22 ar 34 17 18 ar 35 18 19 ar 36 18 38 1 37 19 20 ar 38 19 39 1 39 20 21 ar 40 20 40 1 41 21 22 ar 42 21 41 1 43 22 42 1