@MOLECULE FDBD00346 43 44 0 0 0 SMALL GASTEIGER @ATOM 1 O 1.4189 -1.5888 -0.5152 O.3 1 UNK -0.4528 2 O1 1.6020 -1.2952 1.7606 O.2 1 UNK -0.2449 3 N -2.2268 -1.2292 0.0307 N.4 1 UNK 0.2318 4 C -3.0487 -0.0774 0.3969 C.3 1 UNK -0.0225 5 C1 -2.9244 1.0125 -0.6737 C.3 1 UNK -0.0097 6 C2 -4.5070 -0.5134 0.5750 C.3 1 UNK -0.0097 7 C3 -3.8302 2.2030 -0.3636 C.3 1 UNK -0.0480 8 C4 -5.4106 0.6791 0.8840 C.3 1 UNK -0.0480 9 C5 -5.2816 1.7716 -0.1736 C.3 1 UNK -0.0527 10 C6 -0.8288 -0.8465 -0.0943 C.3 1 UNK 0.0043 11 C7 0.0670 -2.0399 -0.4351 C.3 1 UNK 0.1399 12 C8 -0.2822 -2.6881 -1.7688 C.3 1 UNK -0.0226 13 C9 1.9230 -1.0244 0.6138 C.2 1 UNK 0.3396 14 C10 2.9452 -0.0026 0.2740 C.ar 1 UNK 0.0590 15 C11 3.9780 0.2275 1.1596 C.ar 1 UNK -0.0478 16 C12 2.8309 0.6847 -0.9170 C.ar 1 UNK -0.0478 17 C13 4.9386 1.1872 0.8404 C.ar 1 UNK -0.0610 18 C14 3.7916 1.6444 -1.2362 C.ar 1 UNK -0.0610 19 C15 4.8454 1.8956 -0.3574 C.ar 1 UNK -0.0617 20 H -2.5524 -1.6026 -0.8609 H 1 UNK 0.2017 21 H1 -2.3086 -1.9354 0.7621 H 1 UNK 0.2017 22 H2 -2.7048 0.3261 1.3263 H 1 UNK 0.0850 23 H3 -3.2011 0.6021 -1.6223 H 1 UNK 0.0320 24 H4 -1.9109 1.3552 -0.6899 H 1 UNK 0.0320 25 H5 -4.5652 -1.2130 1.3825 H 1 UNK 0.0320 26 H6 -4.8392 -0.9603 -0.3387 H 1 UNK 0.0320 27 H7 -3.7784 2.8990 -1.1746 H 1 UNK 0.0267 28 H8 -3.4928 2.6512 0.5475 H 1 UNK 0.0267 29 H9 -5.1377 1.0838 1.8362 H 1 UNK 0.0267 30 H10 -6.4246 0.3375 0.8899 H 1 UNK 0.0267 31 H11 -5.6578 1.4001 -1.1039 H 1 UNK 0.0265 32 H12 -5.8426 2.6217 0.1542 H 1 UNK 0.0265 33 H13 -0.5026 -0.4240 0.8331 H 1 UNK 0.0850 34 H14 -0.7514 -0.1381 -0.8924 H 1 UNK 0.0850 35 H15 -0.0771 -2.7683 0.3353 H 1 UNK 0.0785 36 H16 -0.1457 -1.9777 -2.5572 H 1 UNK 0.0267 37 H17 -1.3022 -3.0109 -1.7522 H 1 UNK 0.0267 38 H18 0.3560 -3.5309 -1.9337 H 1 UNK 0.0267 39 H19 4.0387 -0.3017 2.0435 H 1 UNK 0.0626 40 H20 2.0478 0.4920 -1.5609 H 1 UNK 0.0626 41 H21 5.7182 1.3731 1.4905 H 1 UNK 0.0618 42 H22 3.7227 2.1686 -2.1225 H 1 UNK 0.0618 43 H23 5.5561 2.6056 -0.5936 H 1 UNK 0.0618 @BOND 1 1 11 1 2 1 13 1 3 2 13 2 4 3 4 1 5 3 10 1 6 4 5 1 7 4 6 1 8 5 7 1 9 6 8 1 10 7 9 1 11 8 9 1 12 10 11 1 13 11 12 1 14 13 14 1 15 14 15 ar 16 14 16 ar 17 15 17 ar 18 16 18 ar 19 17 19 ar 20 18 19 ar 21 3 20 1 22 3 21 1 23 4 22 1 24 5 23 1 25 5 24 1 26 6 25 1 27 6 26 1 28 7 27 1 29 7 28 1 30 8 29 1 31 8 30 1 32 9 31 1 33 9 32 1 34 10 33 1 35 10 34 1 36 11 35 1 37 12 36 1 38 12 37 1 39 12 38 1 40 15 39 1 41 16 40 1 42 17 41 1 43 18 42 1 44 19 43 1