@MOLECULE FDBD00909 47 50 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.1090 2.1335 0.3523 O.2 1 UNK -0.2753 2 O1 1.3176 3.9240 -0.1306 O.2 1 UNK -0.2739 3 N 1.7936 1.6527 0.0495 N.am 1 UNK -0.2913 4 N1 -0.9548 1.2517 0.4042 N.am 1 UNK -0.2903 5 C 1.3741 0.3889 0.6720 C.3 1 UNK 0.0672 6 C1 -2.8773 -0.1470 -0.2311 C.3 1 UNK 0.0358 7 C2 -0.0667 0.0951 0.2420 C.3 1 UNK 0.0380 8 C3 -3.2112 -0.9955 0.9979 C.3 1 UNK -0.0419 9 C4 -4.1038 0.0516 -1.1244 C.3 1 UNK -0.0419 10 C5 -2.3367 1.1844 0.1985 C.2 1 UNK 0.2191 11 C6 -3.8525 -2.3247 0.6083 C.3 1 UNK -0.0524 12 C7 -4.7433 -1.2800 -1.5089 C.3 1 UNK -0.0524 13 C8 2.2804 -0.7930 0.3756 C.ar 1 UNK -0.0223 14 C9 3.1506 1.7662 -0.4742 C.3 1 UNK 0.0194 15 C10 -0.3595 2.5157 0.8293 C.3 1 UNK 0.0913 16 C11 -5.0762 -2.1204 -0.2799 C.3 1 UNK -0.0530 17 C12 3.4958 0.5747 -1.3555 C.3 1 UNK -0.0115 18 C13 0.9758 2.7770 0.1579 C.2 1 UNK 0.2335 19 C14 3.2918 -0.7084 -0.5980 C.ar 1 UNK -0.0409 20 C15 2.1123 -1.9964 1.0788 C.ar 1 UNK -0.0565 21 C16 4.0844 -1.8286 -0.8822 C.ar 1 UNK -0.0582 22 C17 2.9165 -3.1019 0.8010 C.ar 1 UNK -0.0614 23 C18 3.8982 -3.0196 -0.1825 C.ar 1 UNK -0.0615 24 H 1.4428 0.5189 1.7319 H 1 UNK 0.0566 25 H1 -2.1357 -0.6679 -0.8000 H 1 UNK 0.0394 26 H2 -0.0642 -0.1922 -0.7887 H 1 UNK 0.0486 27 H3 -0.4378 -0.6871 0.8708 H 1 UNK 0.0486 28 H4 -3.8907 -0.4519 1.6205 H 1 UNK 0.0272 29 H5 -2.2992 -1.2044 1.5171 H 1 UNK 0.0272 30 H6 -3.8047 0.5628 -2.0155 H 1 UNK 0.0272 31 H7 -4.8252 0.6230 -0.5785 H 1 UNK 0.0272 32 H8 -4.1511 -2.8397 1.4974 H 1 UNK 0.0265 33 H9 -3.1325 -2.8948 0.0592 H 1 UNK 0.0265 34 H10 -4.0627 -1.8257 -2.1284 H 1 UNK 0.0265 35 H11 -5.6549 -1.0746 -2.0301 H 1 UNK 0.0265 36 H12 3.8391 1.8077 0.3438 H 1 UNK 0.0468 37 H13 3.2153 2.6567 -1.0638 H 1 UNK 0.0468 38 H14 -0.2125 2.4879 1.8888 H 1 UNK 0.0560 39 H15 -1.0272 3.3032 0.5484 H 1 UNK 0.0560 40 H16 -5.8366 -1.6232 0.2853 H 1 UNK 0.0265 41 H17 -5.4132 -3.0802 -0.6117 H 1 UNK 0.0265 42 H18 4.5188 0.6458 -1.6611 H 1 UNK 0.0328 43 H19 2.8568 0.5787 -2.2137 H 1 UNK 0.0328 44 H20 1.3861 -2.0639 1.8090 H 1 UNK 0.0621 45 H21 4.8101 -1.7714 -1.6137 H 1 UNK 0.0620 46 H22 2.7836 -3.9811 1.3248 H 1 UNK 0.0618 47 H23 4.4878 -3.8399 -0.3934 H 1 UNK 0.0618 @BOND 1 1 10 2 2 2 18 2 3 3 5 1 4 3 14 1 5 3 18 am 6 4 7 1 7 4 10 am 8 4 15 1 9 5 7 1 10 5 13 1 11 6 8 1 12 6 9 1 13 6 10 1 14 8 11 1 15 9 12 1 16 11 16 1 17 12 16 1 18 13 19 ar 19 13 20 ar 20 14 17 1 21 15 18 1 22 17 19 1 23 19 21 ar 24 20 22 ar 25 21 23 ar 26 22 23 ar 27 5 24 1 28 6 25 1 29 7 26 1 30 7 27 1 31 8 28 1 32 8 29 1 33 9 30 1 34 9 31 1 35 11 32 1 36 11 33 1 37 12 34 1 38 12 35 1 39 14 36 1 40 14 37 1 41 15 38 1 42 15 39 1 43 16 40 1 44 16 41 1 45 17 42 1 46 17 43 1 47 20 44 1 48 21 45 1 49 22 46 1 50 23 47 1