@MOLECULE FDBD02118 34 33 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.1113 2.1448 -0.3024 C.3 1 UNK -0.0449 2 C1 0.0111 0.6195 -0.2378 C.3 1 UNK 0.0786 3 C2 -1.4382 0.2089 -0.2825 C.2 1 UNK 0.2255 4 O -1.9269 -0.1783 -1.3228 O.2 1 UNK -0.2746 5 N -2.1912 0.2720 0.8334 N.am 1 UNK -0.3175 6 C3 -3.6002 -0.1271 0.7899 C.3 1 UNK 0.0001 7 S 0.8886 -0.1046 -1.6507 S.3 1 UNK -0.1475 8 C4 2.6137 0.3651 -1.3439 C.3 1 UNK 0.0039 9 C5 3.4981 -0.1800 -2.4671 C.3 1 UNK 0.0137 10 S1 5.2232 0.2897 -2.1604 S.3 1 UNK -0.0403 11 P 5.8142 -1.0440 -0.6220 P.3 1 UNK 0.3907 12 O1 7.2596 -0.8759 -0.3518 O.2 1 UNK -0.2458 13 O2 4.9774 -0.7246 0.7159 O.3 1 UNK -0.3035 14 C6 5.0981 0.5046 1.4345 C.3 1 UNK 0.0465 15 O3 5.5275 -2.5589 -1.0856 O.3 1 UNK -0.3035 16 C7 6.2025 -3.1781 -2.1824 C.3 1 UNK 0.0465 17 H 1.1596 2.4418 -0.2701 H 1 UNK 0.0245 18 H1 -0.3383 2.4995 -1.2299 H 1 UNK 0.0245 19 H2 -0.4160 2.5799 0.5466 H 1 UNK 0.0245 20 H3 0.4607 0.2648 0.6897 H 1 UNK 0.0504 21 H4 -1.8004 0.5817 1.6654 H 1 UNK 0.1484 22 H5 -4.1338 0.5007 0.0763 H 1 UNK 0.0426 23 H6 -3.6730 -1.1701 0.4818 H 1 UNK 0.0426 24 H7 -4.0420 -0.0089 1.7793 H 1 UNK 0.0426 25 H8 2.6944 1.4517 -1.3128 H 1 UNK 0.0385 26 H9 2.9395 -0.0509 -0.3906 H 1 UNK 0.0385 27 H10 3.4174 -1.2665 -2.4983 H 1 UNK 0.0390 28 H11 3.1723 0.2361 -3.4205 H 1 UNK 0.0390 29 H12 4.5029 0.4524 2.3462 H 1 UNK 0.0529 30 H13 6.1436 0.6737 1.6923 H 1 UNK 0.0529 31 H14 4.7397 1.3254 0.8132 H 1 UNK 0.0529 32 H15 6.0069 -2.6143 -3.0945 H 1 UNK 0.0529 33 H16 7.2748 -3.1931 -1.9874 H 1 UNK 0.0529 34 H17 5.8406 -4.1994 -2.3019 H 1 UNK 0.0529 @BOND 1 1 2 1 2 1 17 1 3 1 18 1 4 1 19 1 5 2 3 1 6 2 7 1 7 2 20 1 8 3 4 2 9 3 5 am 10 5 6 1 11 5 21 1 12 6 22 1 13 6 23 1 14 6 24 1 15 7 8 1 16 8 9 1 17 8 25 1 18 8 26 1 19 9 10 1 20 9 27 1 21 9 28 1 22 10 11 1 23 11 12 2 24 11 13 1 25 11 15 1 26 13 14 1 27 14 29 1 28 14 30 1 29 14 31 1 30 15 16 1 31 16 32 1 32 16 33 1 33 16 34 1