@MOLECULE FDBD01181 48 50 0 0 0 SMALL GASTEIGER @ATOM 1 S -0.8838 1.9389 1.8208 S.3 1 UNK -0.0857 2 O 4.2227 0.9053 -1.0162 O.3 1 UNK -0.4950 3 N -0.5839 0.2141 -0.7484 N.pl3 1 UNK -0.2978 4 N1 0.0628 -3.6722 0.9903 N.4 1 UNK 0.2311 5 C 0.1365 -2.1599 -0.9838 C.3 1 UNK 0.0124 6 C1 -0.4611 -0.9204 -1.6729 C.3 1 UNK 0.0247 7 C2 -0.6119 -2.5812 0.2953 C.3 1 UNK -0.0283 8 C3 0.2196 -3.3452 -1.9522 C.3 1 UNK -0.0561 9 C4 0.6152 0.7758 -0.2413 C.ar 1 UNK 0.0514 10 C5 -1.8885 0.7028 -0.4846 C.ar 1 UNK 0.0479 11 C6 0.6053 1.5955 0.9046 C.ar 1 UNK 0.0343 12 C7 -2.1465 1.5153 0.6372 C.ar 1 UNK 0.0341 13 C8 1.8616 0.5734 -0.8735 C.ar 1 UNK 0.0025 14 C9 -2.9761 0.4325 -1.3437 C.ar 1 UNK -0.0393 15 C10 -0.6604 -4.0295 2.2116 C.3 1 UNK -0.0433 16 C11 1.4440 -3.3051 1.3064 C.3 1 UNK -0.0433 17 C12 1.7964 2.1560 1.3991 C.ar 1 UNK -0.0427 18 C13 -3.4409 2.0034 0.8901 C.ar 1 UNK -0.0462 19 C14 3.0418 1.1367 -0.3805 C.ar 1 UNK 0.1219 20 C15 -4.2595 0.9243 -1.0904 C.ar 1 UNK -0.0599 21 C16 3.0097 1.9262 0.7588 C.ar 1 UNK -0.0188 22 C17 -4.4929 1.7077 0.0296 C.ar 1 UNK -0.0606 23 C18 5.3900 1.5055 -0.4565 C.3 1 UNK 0.0788 24 H 0.0767 -4.4839 0.3728 H 1 UNK 0.2028 25 H1 1.1219 -1.8699 -0.6841 H 1 UNK 0.0365 26 H2 0.1739 -0.6368 -2.4861 H 1 UNK 0.0472 27 H3 -1.4413 -1.1737 -2.0192 H 1 UNK 0.0472 28 H4 -0.6736 -1.7390 0.9525 H 1 UNK 0.0817 29 H5 -1.5851 -2.9229 0.0108 H 1 UNK 0.0817 30 H6 -0.7672 -3.6325 -2.2497 H 1 UNK 0.0235 31 H7 0.7000 -4.1691 -1.4671 H 1 UNK 0.0235 32 H8 0.7841 -3.0614 -2.8157 H 1 UNK 0.0235 33 H9 1.9022 -0.0080 -1.7252 H 1 UNK 0.0673 34 H10 -2.8185 -0.1456 -2.1839 H 1 UNK 0.0636 35 H11 -0.6841 -3.1874 2.8713 H 1 UNK 0.0777 36 H12 -0.1649 -4.8463 2.6935 H 1 UNK 0.0777 37 H13 -1.6609 -4.3160 1.9628 H 1 UNK 0.0777 38 H14 1.4474 -2.4538 1.9546 H 1 UNK 0.0777 39 H15 1.9656 -3.0675 0.4029 H 1 UNK 0.0777 40 H16 1.9287 -4.1257 1.7928 H 1 UNK 0.0777 41 H17 1.7701 2.7444 2.2465 H 1 UNK 0.0630 42 H18 -3.6122 2.5875 1.7235 H 1 UNK 0.0629 43 H19 -5.0333 0.7044 -1.7368 H 1 UNK 0.0618 44 H20 3.8795 2.3403 1.1290 H 1 UNK 0.0654 45 H21 -5.4401 2.0687 0.2233 H 1 UNK 0.0618 46 H22 6.2430 1.2460 -1.0480 H 1 UNK 0.0660 47 H23 5.5285 1.1514 0.5437 H 1 UNK 0.0660 48 H24 5.2738 2.5691 -0.4455 H 1 UNK 0.0660 @BOND 1 1 11 1 2 1 12 1 3 2 19 1 4 2 23 1 5 3 6 1 6 3 9 1 7 3 10 1 8 4 7 1 9 4 15 1 10 4 16 1 11 5 6 1 12 5 7 1 13 5 8 1 14 9 11 ar 15 9 13 ar 16 10 12 ar 17 10 14 ar 18 11 17 ar 19 12 18 ar 20 13 19 ar 21 14 20 ar 22 17 21 ar 23 18 22 ar 24 19 21 ar 25 20 22 ar 26 4 24 1 27 5 25 1 28 6 26 1 29 6 27 1 30 7 28 1 31 7 29 1 32 8 30 1 33 8 31 1 34 8 32 1 35 13 33 1 36 14 34 1 37 15 35 1 38 15 36 1 39 15 37 1 40 16 38 1 41 16 39 1 42 16 40 1 43 17 41 1 44 18 42 1 45 20 43 1 46 21 44 1 47 22 45 1 48 23 46 1 49 23 47 1 50 23 48 1