@MOLECULE FDBD01921 29 29 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.0866 2.1839 0.9212 C.3 1 UNK -0.0585 2 C1 -0.2069 0.7127 0.6208 C.3 1 UNK -0.0177 3 C2 0.1313 0.4133 -0.8410 C.3 1 UNK -0.0585 4 C3 0.6310 -0.1602 1.5191 C.ar 1 UNK 0.0039 5 C4 0.0225 -1.0686 2.3638 C.ar 1 UNK -0.0133 6 C5 -1.4797 -1.1863 2.3865 C.3 1 UNK -0.0372 7 C6 0.7906 -1.8699 3.1879 C.ar 1 UNK 0.1317 8 C7 2.1693 -1.7644 3.1694 C.ar 1 UNK 0.0027 9 C8 2.7824 -0.8575 2.3271 C.ar 1 UNK 0.1698 10 C9 2.0140 -0.0564 1.4946 C.ar 1 UNK 0.1507 11 O 2.6149 0.8363 0.6646 O.3 1 UNK -0.5042 12 N 4.2582 -0.7450 2.3078 N.pl3 1 UNK 0.0601 13 O1 4.9324 -1.4523 3.0349 O.2 1 UNK -0.1260 14 O2 4.7983 0.0549 1.5648 O.2 1 UNK -0.1260 15 N1 0.1361 -2.8423 4.0919 N.pl3 1 UNK 0.0568 16 O3 0.8000 -3.4613 4.9040 O.2 1 UNK -0.1261 17 O4 -1.0665 -3.0234 4.0237 O.2 1 UNK -0.1261 18 H -0.5083 2.8037 0.2834 H 1 UNK 0.0235 19 H1 1.1232 2.3836 0.7467 H 1 UNK 0.0235 20 H2 -0.1498 2.3932 1.9435 H 1 UNK 0.0235 21 H3 -1.2435 0.5130 0.7952 H 1 UNK 0.0345 22 H4 1.1679 0.6130 -1.0154 H 1 UNK 0.0235 23 H5 -0.4636 1.0331 -1.4789 H 1 UNK 0.0235 24 H6 -0.0740 -0.6156 -1.0511 H 1 UNK 0.0235 25 H7 -1.9023 -0.4937 1.6889 H 1 UNK 0.0278 26 H8 -1.8399 -0.9666 3.3698 H 1 UNK 0.0278 27 H9 -1.7636 -2.1821 2.1169 H 1 UNK 0.0278 28 H10 2.7406 -2.3637 3.7854 H 1 UNK 0.0664 29 H11 2.0953 1.3769 0.1027 H 1 UNK 0.2922 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 10 ar 5 4 5 ar 6 5 6 1 7 5 7 ar 8 7 8 ar 9 7 15 1 10 8 9 ar 11 9 10 ar 12 9 12 1 13 10 11 1 14 12 13 2 15 12 14 2 16 15 16 2 17 15 17 2 18 1 18 1 19 1 19 1 20 1 20 1 21 2 21 1 22 3 22 1 23 3 23 1 24 3 24 1 25 6 25 1 26 6 26 1 27 6 27 1 28 8 28 1 29 11 29 1