@MOLECULE FDBD03196 45 45 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.3384 1.3168 -0.1979 C.3 1 UNK -0.0653 2 C1 -0.2265 -0.2077 -0.2622 C.3 1 UNK -0.0556 3 C2 0.6276 -0.6060 -1.4675 C.3 1 UNK -0.0491 4 C3 0.8420 -2.1209 -1.4624 C.3 1 UNK -0.0209 5 C4 1.5788 -2.5281 -2.7123 C.ar 1 UNK 0.0378 6 C5 0.8886 -2.9370 -3.8381 C.ar 1 UNK 0.0501 7 C6 -0.6177 -2.9823 -3.8336 C.3 1 UNK -0.0218 8 N 1.5657 -3.2881 -4.9207 N.ar 1 UNK -0.2193 9 C7 2.8901 -3.2518 -4.9362 C.ar 1 UNK 0.2186 10 N1 3.5621 -3.6264 -6.0865 N.pl3 1 UNK -0.3136 11 C8 5.0263 -3.5930 -6.1233 C.3 1 UNK 0.0090 12 C9 5.5125 -4.0511 -7.4997 C.3 1 UNK -0.0495 13 N2 3.5867 -2.8655 -3.8779 N.ar 1 UNK -0.1771 14 C10 2.9715 -2.4955 -2.7611 C.ar 1 UNK 0.2566 15 O 3.6878 -2.1009 -1.6805 O.3 1 UNK -0.3126 16 S 4.1695 -3.2484 -0.8044 S.O2 1 UNK 0.1952 17 O1 4.7437 -2.6562 0.3527 O.2 1 UNK -0.1187 18 O2 3.1035 -4.1864 -0.7498 O.2 1 UNK -0.1187 19 N3 5.4081 -3.9947 -1.6114 N.3 1 UNK -0.1532 20 C11 6.7687 -3.4588 -1.5220 C.3 1 UNK 0.0114 21 C12 5.1434 -5.1909 -2.4148 C.3 1 UNK 0.0114 22 H 0.6566 1.7503 -0.0971 H 1 UNK 0.0230 23 H1 -0.8047 1.6858 -1.1114 H 1 UNK 0.0230 24 H2 -0.9469 1.6006 0.6608 H 1 UNK 0.0230 25 H3 0.2397 -0.5767 0.6513 H 1 UNK 0.0263 26 H4 -1.2216 -0.6411 -0.3629 H 1 UNK 0.0263 27 H5 0.1184 -0.3141 -2.3860 H 1 UNK 0.0268 28 H6 1.5926 -0.1023 -1.4113 H 1 UNK 0.0268 29 H7 1.4278 -2.4020 -0.5873 H 1 UNK 0.0315 30 H8 -0.1242 -2.6244 -1.4299 H 1 UNK 0.0315 31 H9 -1.0111 -2.0219 -4.1668 H 1 UNK 0.0293 32 H10 -0.9596 -3.7683 -4.5070 H 1 UNK 0.0293 33 H11 -0.9720 -3.1894 -2.8238 H 1 UNK 0.0293 34 H12 3.0637 -3.9110 -6.8685 H 1 UNK 0.1489 35 H13 5.3714 -2.5761 -5.9359 H 1 UNK 0.0459 36 H14 5.4242 -4.2586 -5.3573 H 1 UNK 0.0459 37 H15 5.1675 -5.0679 -7.6870 H 1 UNK 0.0245 38 H16 5.1146 -3.3855 -8.2657 H 1 UNK 0.0245 39 H17 6.6019 -4.0263 -7.5270 H 1 UNK 0.0245 40 H18 6.7859 -2.6270 -0.8178 H 1 UNK 0.0409 41 H19 7.4453 -4.2408 -1.1773 H 1 UNK 0.0409 42 H20 7.0870 -3.1099 -2.5043 H 1 UNK 0.0409 43 H21 4.9841 -4.9027 -3.4538 H 1 UNK 0.0409 44 H22 5.9961 -5.8669 -2.3518 H 1 UNK 0.0409 45 H23 4.2530 -5.6930 -2.0363 H 1 UNK 0.0409 @BOND 1 1 2 1 2 1 22 1 3 1 23 1 4 1 24 1 5 2 3 1 6 2 25 1 7 2 26 1 8 3 4 1 9 3 27 1 10 3 28 1 11 4 5 1 12 4 29 1 13 4 30 1 14 5 14 ar 15 5 6 ar 16 6 7 1 17 6 8 ar 18 7 31 1 19 7 32 1 20 7 33 1 21 8 9 ar 22 9 10 1 23 9 13 ar 24 10 11 1 25 10 34 1 26 11 12 1 27 11 35 1 28 11 36 1 29 12 37 1 30 12 38 1 31 12 39 1 32 13 14 ar 33 14 15 1 34 15 16 1 35 16 17 2 36 16 18 2 37 16 19 1 38 19 20 1 39 19 21 1 40 20 40 1 41 20 41 1 42 20 42 1 43 21 43 1 44 21 44 1 45 21 45 1