@MOLECULE FDBD03050 39 41 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.2589 1.3225 0.1299 C.3 1 UNK -0.0590 2 C1 -0.0567 -0.1738 0.1800 C.3 1 UNK -0.0018 3 C2 0.4182 -0.7507 1.5151 C.3 1 UNK -0.0353 4 C3 1.3587 -1.9566 1.4691 C.3 1 UNK -0.0496 5 C4 1.8964 -0.5820 1.8718 C.3 1 UNK -0.0496 6 C5 -1.5663 -0.3815 0.0427 C.3 1 UNK 0.1547 7 C6 -1.8824 -1.8774 0.0982 C.3 1 UNK 0.2104 8 N -1.1009 -2.5799 -0.9226 N.ar 1 UNK -0.0682 9 C7 -0.2737 -3.6216 -0.7287 C.ar 1 UNK 0.2726 10 N1 0.2313 -3.9601 -1.8872 N.ar 1 UNK -0.2928 11 C8 -0.2476 -3.1611 -2.8399 C.ar 1 UNK 0.1651 12 N2 -1.0718 -2.3026 -2.2991 N.ar 1 UNK 0.0139 13 C9 -2.2750 0.3239 1.1703 C.ar 1 UNK -0.0096 14 C10 -2.7414 1.6133 0.9940 C.ar 1 UNK -0.0543 15 C11 -3.3914 2.2607 2.0277 C.ar 1 UNK -0.0430 16 C12 -3.5753 1.6181 3.2391 C.ar 1 UNK 0.0410 17 C13 -3.1083 0.3277 3.4149 C.ar 1 UNK -0.0430 18 C14 -2.4634 -0.3208 2.3786 C.ar 1 UNK -0.0543 19 Cl -4.3912 2.4308 4.5381 Cl 1 UNK -0.0835 20 O -2.0090 0.1529 -1.2065 O.3 1 UNK -0.3772 21 H 1.3146 1.4677 0.2259 H 1 UNK 0.0234 22 H1 -0.2441 1.8202 0.9326 H 1 UNK 0.0234 23 H2 -0.0732 1.7260 -0.8038 H 1 UNK 0.0234 24 H3 0.4462 -0.6715 -0.6227 H 1 UNK 0.0334 25 H4 -0.5083 -0.5313 2.0034 H 1 UNK 0.0304 26 H5 1.6346 -2.3843 0.5279 H 1 UNK 0.0268 27 H6 1.3628 -2.9303 1.9127 H 1 UNK 0.0268 28 H7 2.1843 -0.3961 2.8854 H 1 UNK 0.0268 29 H8 2.6897 0.0498 1.5306 H 1 UNK 0.0268 30 H9 -2.9258 -2.0285 -0.0847 H 1 UNK 0.1089 31 H10 -1.6309 -2.2594 1.0655 H 1 UNK 0.1089 32 H11 -0.0722 -4.0752 0.1761 H 1 UNK 0.1623 33 H12 0.8697 -4.6952 -2.0332 H 1 UNK 0.1720 34 H13 -0.0069 -3.2118 -3.8422 H 1 UNK 0.1090 35 H14 -2.6042 2.0925 0.0904 H 1 UNK 0.0622 36 H15 -3.7395 3.2232 1.8960 H 1 UNK 0.0632 37 H16 -3.2415 -0.1506 4.3196 H 1 UNK 0.0632 38 H17 -2.1225 -1.2864 2.5069 H 1 UNK 0.0622 39 H18 -1.5529 -0.3011 -1.9322 H 1 UNK 0.2109 @BOND 1 1 2 1 2 2 3 1 3 2 6 1 4 3 5 1 5 3 4 1 6 4 5 1 7 6 7 1 8 6 13 1 9 6 20 1 10 7 8 1 11 8 12 ar 12 8 9 ar 13 9 10 ar 14 10 11 ar 15 11 12 ar 16 13 18 ar 17 13 14 ar 18 14 15 ar 19 15 16 ar 20 16 17 ar 21 16 19 1 22 17 18 ar 23 1 21 1 24 1 22 1 25 1 23 1 26 2 24 1 27 3 25 1 28 4 26 1 29 4 27 1 30 5 28 1 31 5 29 1 32 7 30 1 33 7 31 1 34 9 32 1 35 10 33 1 36 11 34 1 37 14 35 1 38 15 36 1 39 17 37 1 40 18 38 1 41 20 39 1