@MOLECULE FDBD01340 40 40 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.6216 1.3156 -1.0983 O.3 1 UNK -0.3834 2 O1 -3.3119 0.6441 -0.9576 O.3 1 UNK -0.3862 3 O2 -0.5355 -3.0665 0.2996 O.3 1 UNK -0.3835 4 O3 -3.1481 -2.0680 -0.2168 O.3 1 UNK -0.3864 5 O4 -0.5320 3.3960 0.6917 O.3 1 UNK -0.3921 6 O5 2.3837 0.3792 -2.5185 O.3 1 UNK -0.3894 7 O6 4.2379 0.2568 1.2757 O.3 1 UNK -0.3894 8 N 1.1230 -0.8626 -0.3432 N.4 1 UNK 0.2366 9 C -1.2211 1.1633 0.1924 C.3 1 UNK 0.1223 10 C1 0.2727 -0.8397 0.8519 C.3 1 UNK 0.0097 11 C2 -0.1749 0.5962 1.1768 C.3 1 UNK 0.0264 12 C3 -2.4160 0.1966 0.0622 C.3 1 UNK 0.1146 13 C4 -0.9483 -1.7615 0.7065 C.3 1 UNK 0.1259 14 C5 -1.9864 -1.2337 -0.2875 C.3 1 UNK 0.1148 15 C6 -1.6686 2.5564 0.6497 C.3 1 UNK 0.0757 16 C7 2.3062 -0.0432 -0.1437 C.3 1 UNK 0.0249 17 C8 3.1557 -0.0763 -1.4142 C.3 1 UNK 0.0890 18 C9 3.0850 -0.5526 1.0731 C.3 1 UNK 0.0890 19 H -0.3249 0.4504 -1.4211 H 1 UNK 0.2104 20 H1 -3.6000 1.5491 -0.7605 H 1 UNK 0.2100 21 H2 0.1227 -3.4072 0.9254 H 1 UNK 0.2102 22 H3 -3.8161 -1.7458 -0.8420 H 1 UNK 0.2100 23 H4 -0.7963 4.2838 0.9796 H 1 UNK 0.2095 24 H5 2.9254 0.3570 -3.3228 H 1 UNK 0.2097 25 H6 4.7293 -0.0676 2.0465 H 1 UNK 0.2097 26 H7 0.5949 -0.5013 -1.1375 H 1 UNK 0.2022 27 H8 1.4144 -1.8237 -0.5215 H 1 UNK 0.2022 28 H9 0.8617 -1.2097 1.6650 H 1 UNK 0.0878 29 H10 -0.5985 0.6029 2.1594 H 1 UNK 0.0350 30 H11 0.6931 1.2171 1.0994 H 1 UNK 0.0350 31 H12 -2.8940 0.1884 1.0195 H 1 UNK 0.0650 32 H13 -1.4135 -1.7966 1.6694 H 1 UNK 0.0677 33 H14 -1.5505 -1.2392 -1.2647 H 1 UNK 0.0648 34 H15 -2.3847 2.9511 -0.0405 H 1 UNK 0.0587 35 H16 -2.1207 2.4991 1.6178 H 1 UNK 0.0587 36 H17 2.0299 0.9724 0.0489 H 1 UNK 0.0896 37 H18 4.0074 0.5592 -1.2893 H 1 UNK 0.0614 38 H19 3.4799 -1.0793 -1.5979 H 1 UNK 0.0614 39 H20 2.4604 -0.5060 1.9406 H 1 UNK 0.0614 40 H21 3.3872 -1.5648 0.9030 H 1 UNK 0.0614 @BOND 1 1 9 1 2 2 12 1 3 3 13 1 4 4 14 1 5 5 15 1 6 6 17 1 7 7 18 1 8 8 10 1 9 8 16 1 10 9 11 1 11 9 12 1 12 9 15 1 13 10 11 1 14 10 13 1 15 12 14 1 16 13 14 1 17 16 17 1 18 16 18 1 19 1 19 1 20 2 20 1 21 3 21 1 22 4 22 1 23 5 23 1 24 6 24 1 25 7 25 1 26 8 26 1 27 8 27 1 28 10 28 1 29 11 29 1 30 11 30 1 31 12 31 1 32 13 32 1 33 14 33 1 34 15 34 1 35 15 35 1 36 16 36 1 37 17 37 1 38 17 38 1 39 18 39 1 40 18 40 1