@MOLECULE FDBD02803 38 38 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.2033 -0.6970 1.2733 C.3 1 UNK 0.0328 2 N -0.0239 0.0460 0.0236 N.3 1 UNK -0.0391 3 S 0.0242 1.7012 0.0439 S.O2 1 UNK 0.0480 4 O -0.5514 2.0838 -1.1977 O.2 1 UNK -0.1569 5 O1 -0.5897 2.0545 1.2758 O.2 1 UNK -0.1569 6 C1 1.7930 2.1023 0.0761 C.3 1 UNK 0.0724 7 S1 0.1308 -0.7692 -1.4095 S.O2 1 UNK 0.1330 8 O2 -0.3196 -2.0951 -1.1675 O.2 1 UNK -0.1364 9 O3 -0.4270 0.0704 -2.4111 O.2 1 UNK -0.1364 10 N1 1.7499 -0.8782 -1.7392 N.am 1 UNK -0.1577 11 C2 2.5641 -1.5519 -0.9027 C.2 1 UNK 0.3261 12 O4 2.0984 -2.1532 0.0457 O.2 1 UNK -0.2508 13 N2 3.8946 -1.5588 -1.1175 N.am 1 UNK -0.2369 14 C3 4.7336 -2.2529 -0.2555 C.ar 1 UNK 0.2289 15 N3 4.2078 -2.9064 0.7687 N.ar 1 UNK -0.1789 16 C4 4.9800 -3.5817 1.6137 C.ar 1 UNK 0.2225 17 C5 6.3553 -3.5955 1.4104 C.ar 1 UNK 0.0616 18 C6 6.8711 -2.8977 0.3241 C.ar 1 UNK 0.2225 19 N4 6.0378 -2.2484 -0.4825 N.ar 1 UNK -0.1789 20 O5 8.2056 -2.8839 0.0878 O.3 1 UNK -0.4795 21 C7 8.6556 -2.1438 -1.0488 C.3 1 UNK 0.0804 22 O6 4.4340 -4.2478 2.6602 O.3 1 UNK -0.4795 23 C8 3.0132 -4.1839 2.7998 C.3 1 UNK 0.0804 24 H -1.2670 -0.8501 1.4556 H 1 UNK 0.0426 25 H1 0.2949 -1.6634 1.1962 H 1 UNK 0.0426 26 H2 0.2288 -0.1303 2.0982 H 1 UNK 0.0426 27 H3 2.2748 1.6921 -0.8114 H 1 UNK 0.0480 28 H4 1.9199 3.1848 0.0909 H 1 UNK 0.0480 29 H5 2.2472 1.6710 0.9682 H 1 UNK 0.0480 30 H6 2.1124 -0.4573 -2.5344 H 1 UNK 0.1793 31 H7 4.2662 -1.0790 -1.8742 H 1 UNK 0.1593 32 H8 7.0078 -4.1353 2.0808 H 1 UNK 0.0724 33 H9 8.3667 -1.0984 -0.9392 H 1 UNK 0.0660 34 H10 9.7407 -2.2151 -1.1224 H 1 UNK 0.0660 35 H11 8.2025 -2.5532 -1.9516 H 1 UNK 0.0660 36 H12 2.7079 -4.7579 3.6747 H 1 UNK 0.0660 37 H13 2.7065 -3.1451 2.9216 H 1 UNK 0.0660 38 H14 2.5416 -4.6000 1.9096 H 1 UNK 0.0660 @BOND 1 1 2 1 2 1 24 1 3 1 25 1 4 1 26 1 5 2 3 1 6 2 7 1 7 3 4 2 8 3 5 2 9 3 6 1 10 6 27 1 11 6 28 1 12 6 29 1 13 7 8 2 14 7 9 2 15 7 10 1 16 10 11 am 17 10 30 1 18 11 12 2 19 11 13 am 20 13 14 1 21 13 31 1 22 14 19 ar 23 14 15 ar 24 15 16 ar 25 16 17 ar 26 16 22 1 27 17 18 ar 28 17 32 1 29 18 19 ar 30 18 20 1 31 20 21 1 32 21 33 1 33 21 34 1 34 21 35 1 35 22 23 1 36 23 36 1 37 23 37 1 38 23 38 1