@MOLECULE FDBD01999 54 55 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0418 1.3698 0.0940 C.3 1 UNK -0.0613 2 C1 0.1293 -0.1492 0.1590 C.3 1 UNK -0.0305 3 C2 0.8087 -0.6324 -1.0964 C.ar 1 UNK -0.0476 4 C3 0.0495 -0.9908 -2.1961 C.ar 1 UNK -0.0579 5 C4 0.6652 -1.4335 -3.3486 C.ar 1 UNK -0.0493 6 C5 2.0572 -1.5194 -3.4035 C.ar 1 UNK 0.0382 7 C6 2.8172 -1.1563 -2.2906 C.ar 1 UNK -0.0493 8 C7 2.1892 -0.7102 -1.1461 C.ar 1 UNK -0.0579 9 C8 2.7238 -1.9934 -4.6352 C.2 1 UNK 0.2603 10 O 2.0593 -2.3093 -5.6027 O.2 1 UNK -0.2687 11 N 4.0681 -2.0752 -4.6850 N.am 1 UNK -0.2271 12 N1 4.6998 -2.5244 -5.8521 N.am 1 UNK -0.2108 13 C9 5.3523 -1.6507 -6.6442 C.2 1 UNK 0.2632 14 O1 5.9806 -2.0526 -7.6040 O.2 1 UNK -0.2684 15 C10 5.3037 -0.2035 -6.3457 C.ar 1 UNK 0.0389 16 C11 4.1393 0.3669 -5.8291 C.ar 1 UNK -0.0466 17 C12 4.1006 1.7180 -5.5528 C.ar 1 UNK -0.0495 18 C13 2.8444 2.3355 -4.9945 C.3 1 UNK -0.0397 19 C14 5.2127 2.5071 -5.7868 C.ar 1 UNK -0.0559 20 C15 6.3701 1.9480 -6.2988 C.ar 1 UNK -0.0495 21 C16 7.5766 2.8152 -6.5504 C.3 1 UNK -0.0397 22 C17 6.4239 0.5972 -6.5740 C.ar 1 UNK -0.0466 23 C18 4.6510 -3.9438 -6.2115 C.3 1 UNK 0.0482 24 C19 3.8554 -4.7108 -5.1534 C.3 1 UNK -0.0423 25 C20 3.9726 -4.1020 -7.5738 C.3 1 UNK -0.0423 26 C21 6.0741 -4.5011 -6.2828 C.3 1 UNK -0.0423 27 H -0.5242 1.7128 0.9854 H 1 UNK 0.0233 28 H1 -0.6395 1.6254 -0.7559 H 1 UNK 0.0233 29 H2 0.9186 1.8335 0.0071 H 1 UNK 0.0233 30 H3 -0.8311 -0.6129 0.2459 H 1 UNK 0.0311 31 H4 0.7270 -0.4047 1.0089 H 1 UNK 0.0311 32 H5 -0.9797 -0.9268 -2.1542 H 1 UNK 0.0620 33 H6 0.0978 -1.7005 -4.1682 H 1 UNK 0.0625 34 H7 3.8466 -1.2214 -2.3238 H 1 UNK 0.0625 35 H8 2.7503 -0.4339 -0.3252 H 1 UNK 0.0620 36 H9 4.6062 -1.8193 -3.9013 H 1 UNK 0.1734 37 H10 3.3091 -0.2207 -5.6542 H 1 UNK 0.0628 38 H11 2.0956 1.5797 -4.8807 H 1 UNK 0.0278 39 H12 2.4900 3.0907 -5.6645 H 1 UNK 0.0278 40 H13 3.0557 2.7745 -4.0419 H 1 UNK 0.0278 41 H14 5.1788 3.5173 -5.5785 H 1 UNK 0.0623 42 H15 7.3518 3.8260 -6.2808 H 1 UNK 0.0278 43 H16 7.8368 2.7721 -7.5874 H 1 UNK 0.0278 44 H17 8.3978 2.4632 -5.9617 H 1 UNK 0.0278 45 H18 7.2905 0.1797 -6.9478 H 1 UNK 0.0628 46 H19 2.8601 -4.3211 -5.1035 H 1 UNK 0.0251 47 H20 4.3299 -4.6003 -4.2008 H 1 UNK 0.0251 48 H21 3.8197 -5.7475 -5.4159 H 1 UNK 0.0251 49 H22 2.9773 -3.7123 -7.5240 H 1 UNK 0.0251 50 H23 3.9370 -5.1387 -7.8363 H 1 UNK 0.0251 51 H24 4.5291 -3.5657 -8.3138 H 1 UNK 0.0251 52 H25 6.5486 -4.3905 -5.3302 H 1 UNK 0.0251 53 H26 6.6305 -3.9647 -7.0228 H 1 UNK 0.0251 54 H27 6.0384 -5.5378 -6.5453 H 1 UNK 0.0251 @BOND 1 1 2 1 2 2 3 1 3 3 8 ar 4 3 4 ar 5 4 5 ar 6 5 6 ar 7 6 7 ar 8 6 9 1 9 7 8 ar 10 9 10 2 11 9 11 am 12 11 12 1 13 12 13 am 14 12 23 1 15 13 14 2 16 13 15 1 17 15 22 ar 18 15 16 ar 19 16 17 ar 20 17 18 1 21 17 19 ar 22 19 20 ar 23 20 21 1 24 20 22 ar 25 23 24 1 26 23 25 1 27 23 26 1 28 1 27 1 29 1 28 1 30 1 29 1 31 2 30 1 32 2 31 1 33 4 32 1 34 5 33 1 35 7 34 1 36 8 35 1 37 11 36 1 38 16 37 1 39 18 38 1 40 18 39 1 41 18 40 1 42 19 41 1 43 21 42 1 44 21 43 1 45 21 44 1 46 22 45 1 47 24 46 1 48 24 47 1 49 24 48 1 50 25 49 1 51 25 50 1 52 25 51 1 53 26 52 1 54 26 53 1 55 26 54 1