@MOLECULE FDBD00249 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.5131 -1.1100 0.0602 O.3 1 UNK -0.3576 2 N 4.1935 -1.2932 0.1429 N.4 1 UNK 0.2325 3 N1 0.0896 2.0443 1.1274 N.ar 1 UNK -0.2566 4 C -0.4700 -0.2597 0.6346 C.3 1 UNK 0.1333 5 C1 -1.8725 -0.7085 0.2049 C.ar 1 UNK -0.0103 6 C2 -0.1724 1.1656 0.1576 C.ar 1 UNK 0.0771 7 C3 -0.3111 -0.4867 2.1514 C.3 1 UNK -0.0259 8 C4 1.8263 -0.7199 0.4399 C.3 1 UNK 0.0891 9 C5 2.8237 -1.6678 -0.2068 C.3 1 UNK -0.0084 10 C6 -2.9550 0.0147 0.6448 C.ar 1 UNK -0.0555 11 C7 -1.9877 -1.8146 -0.6024 C.ar 1 UNK -0.0555 12 C8 -0.2004 1.4084 -1.1870 C.ar 1 UNK -0.0372 13 C9 -4.2303 -0.3932 0.2539 C.ar 1 UNK -0.0614 14 C10 -3.2631 -2.2224 -0.9932 C.ar 1 UNK -0.0614 15 C11 0.0741 2.7114 -1.5870 C.ar 1 UNK -0.0585 16 C12 -4.3845 -1.5116 -0.5651 C.ar 1 UNK -0.0617 17 C13 4.4711 0.0796 -0.2781 C.3 1 UNK -0.0433 18 C14 5.1479 -2.2180 -0.4675 C.3 1 UNK -0.0433 19 C15 0.3514 3.3001 0.7007 C.ar 1 UNK 0.0280 20 C16 0.3562 3.6814 -0.6314 C.ar 1 UNK -0.0436 21 H 4.2946 -1.3470 1.1564 H 1 UNK 0.2028 22 H1 -0.5392 -1.5056 2.3854 H 1 UNK 0.0265 23 H2 -0.9801 0.1592 2.6807 H 1 UNK 0.0265 24 H3 0.6963 -0.2712 2.4407 H 1 UNK 0.0265 25 H4 1.9223 -0.7680 1.5045 H 1 UNK 0.0614 26 H5 2.0156 0.2829 0.1182 H 1 UNK 0.0614 27 H6 2.6339 -2.6640 0.1345 H 1 UNK 0.0837 28 H7 2.7122 -1.6122 -1.2695 H 1 UNK 0.0837 29 H8 -2.8274 0.8405 1.2504 H 1 UNK 0.0621 30 H9 -1.1500 -2.3316 -0.9123 H 1 UNK 0.0621 31 H10 -0.4140 0.6641 -1.8692 H 1 UNK 0.0636 32 H11 -5.0599 0.1326 0.5707 H 1 UNK 0.0618 33 H12 -3.3771 -3.0500 -1.5991 H 1 UNK 0.0618 34 H13 0.0685 2.9577 -2.5892 H 1 UNK 0.0619 35 H14 -5.3281 -1.8133 -0.8544 H 1 UNK 0.0618 36 H15 4.3694 0.1543 -1.3406 H 1 UNK 0.0777 37 H16 5.4686 0.3444 0.0043 H 1 UNK 0.0777 38 H17 3.7783 0.7445 0.1941 H 1 UNK 0.0777 39 H18 5.0555 -2.1744 -1.5326 H 1 UNK 0.0777 40 H19 4.9442 -3.2135 -0.1323 H 1 UNK 0.0777 41 H20 6.1423 -1.9427 -0.1842 H 1 UNK 0.0777 42 H21 0.5606 4.0191 1.4109 H 1 UNK 0.0829 43 H22 0.5626 4.6546 -0.9057 H 1 UNK 0.0633 @BOND 1 1 4 1 2 1 8 1 3 2 9 1 4 2 17 1 5 2 18 1 6 3 6 ar 7 3 19 ar 8 4 5 1 9 4 6 1 10 4 7 1 11 5 10 ar 12 5 11 ar 13 6 12 ar 14 8 9 1 15 10 13 ar 16 11 14 ar 17 12 15 ar 18 13 16 ar 19 14 16 ar 20 15 20 ar 21 19 20 ar 22 2 21 1 23 7 22 1 24 7 23 1 25 7 24 1 26 8 25 1 27 8 26 1 28 9 27 1 29 9 28 1 30 10 29 1 31 11 30 1 32 12 31 1 33 13 32 1 34 14 33 1 35 15 34 1 36 16 35 1 37 17 36 1 38 17 37 1 39 17 38 1 40 18 39 1 41 18 40 1 42 18 41 1 43 19 42 1 44 20 43 1