@MOLECULE FDBD02911 51 52 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.0180 -1.1779 -0.0044 C.1 1 UNK -0.1158 2 C1 0.0021 -0.0041 0.0020 C.1 1 UNK -0.0648 3 C2 -0.0179 1.4678 0.0101 C.3 1 UNK 0.1498 4 O 1.3227 1.9624 -0.0000 O.3 1 UNK -0.4759 5 C3 1.4826 3.3129 0.0057 C.ar 1 UNK 0.1633 6 C4 0.3736 4.1433 0.0265 C.ar 1 UNK -0.0160 7 C5 0.5378 5.5159 0.0328 C.ar 1 UNK -0.0548 8 C6 1.8073 6.0633 0.0179 C.ar 1 UNK -0.0422 9 C7 1.9806 7.5603 0.0243 C.3 1 UNK -0.0119 10 C8 2.0600 8.0583 1.4688 C.3 1 UNK 0.0157 11 N 2.2285 9.5136 1.4750 N.am 1 UNK -0.3126 12 C9 2.3227 10.1761 2.6450 C.2 1 UNK 0.2465 13 O1 2.2680 9.5674 3.6926 O.2 1 UNK -0.2726 14 C10 2.4961 11.6730 2.6514 C.3 1 UNK 0.1604 15 C11 1.2662 12.3236 2.0724 C.ar 1 UNK -0.0099 16 C12 0.1764 12.5845 2.8819 C.ar 1 UNK -0.0543 17 C13 -0.9518 13.1812 2.3515 C.ar 1 UNK -0.0430 18 C14 -0.9904 13.5173 1.0100 C.ar 1 UNK 0.0410 19 C15 0.1006 13.2560 0.2002 C.ar 1 UNK -0.0430 20 C16 1.2304 12.6644 0.7331 C.ar 1 UNK -0.0543 21 Cl -2.4073 14.2663 0.3428 Cl 1 UNK -0.0835 22 O2 2.6867 12.1247 3.9937 O.3 1 UNK -0.3503 23 C17 3.4939 13.2989 4.1027 C.3 1 UNK 0.1095 24 C18 3.6247 13.6745 5.5199 C.1 1 UNK -0.0773 25 C19 3.7291 13.9741 6.6503 C.1 1 UNK -0.1169 26 C20 2.9180 5.2405 -0.0025 C.ar 1 UNK -0.0131 27 C21 2.7604 3.8638 -0.0035 C.ar 1 UNK 0.1618 28 O3 3.8520 3.0530 -0.0231 O.3 1 UNK -0.4914 29 C22 5.1319 3.6884 -0.0419 C.3 1 UNK 0.0790 30 H 0.0322 -2.2278 -0.0102 H 1 UNK 0.1229 31 H1 -0.5451 1.8289 -0.8729 H 1 UNK 0.0837 32 H2 -0.5281 1.8193 0.9069 H 1 UNK 0.0837 33 H3 -0.6192 3.7182 0.0375 H 1 UNK 0.0655 34 H4 -0.3274 6.1621 0.0491 H 1 UNK 0.0621 35 H5 2.8990 7.8220 -0.5012 H 1 UNK 0.0328 36 H6 1.1311 8.0266 -0.4746 H 1 UNK 0.0328 37 H7 1.1416 7.7967 1.9943 H 1 UNK 0.0465 38 H8 2.9095 7.5921 1.9677 H 1 UNK 0.0465 39 H9 2.2722 10.0004 0.6372 H 1 UNK 0.1488 40 H10 3.3655 11.9407 2.0510 H 1 UNK 0.0744 41 H11 0.2065 12.3218 3.9291 H 1 UNK 0.0622 42 H12 -1.8032 13.3847 2.9840 H 1 UNK 0.0632 43 H13 0.0709 13.5179 -0.8471 H 1 UNK 0.0632 44 H14 2.0822 12.4607 0.1012 H 1 UNK 0.0622 45 H15 4.4817 13.1006 3.6867 H 1 UNK 0.0697 46 H16 3.0249 14.1146 3.5524 H 1 UNK 0.0697 47 H17 3.8224 14.2420 7.6612 H 1 UNK 0.1229 48 H18 3.9086 5.6707 -0.0138 H 1 UNK 0.0658 49 H19 5.2431 4.3078 0.8480 H 1 UNK 0.0660 50 H20 5.9141 2.9294 -0.0564 H 1 UNK 0.0660 51 H21 5.2146 4.3125 -0.9317 H 1 UNK 0.0660 @BOND 1 1 2 3 2 1 30 1 3 2 3 1 4 3 4 1 5 3 31 1 6 3 32 1 7 4 5 1 8 5 27 ar 9 5 6 ar 10 6 7 ar 11 6 33 1 12 7 8 ar 13 7 34 1 14 8 9 1 15 8 26 ar 16 9 10 1 17 9 35 1 18 9 36 1 19 10 11 1 20 10 37 1 21 10 38 1 22 11 12 am 23 11 39 1 24 12 13 2 25 12 14 1 26 14 15 1 27 14 22 1 28 14 40 1 29 15 20 ar 30 15 16 ar 31 16 17 ar 32 16 41 1 33 17 18 ar 34 17 42 1 35 18 19 ar 36 18 21 1 37 19 20 ar 38 19 43 1 39 20 44 1 40 22 23 1 41 23 24 1 42 23 45 1 43 23 46 1 44 24 25 3 45 25 47 1 46 26 27 ar 47 26 48 1 48 27 28 1 49 28 29 1 50 29 49 1 51 29 50 1 52 29 51 1