@MOLECULE FDBD02256 47 49 0 0 0 SMALL USER_CHARGES @ATOM 1 C 4.5832 2.6867 0.4334 C.3 1 UNK -0.0585 2 C1 4.5127 1.1754 0.2061 C.3 1 UNK -0.0143 3 C2 3.6634 0.7261 -0.9846 C.3 1 UNK -0.0585 4 C3 5.7599 0.3525 0.5354 C.3 1 UNK -0.0011 5 C4 6.9637 1.0927 1.0588 C.2 1 UNK -0.0499 6 C5 8.0992 1.0485 0.4005 C.2 1 UNK 0.1029 7 Cl 8.2134 0.1375 -1.0728 Cl 1 UNK -0.0708 8 Cl1 9.4859 1.9012 1.0035 Cl 1 UNK -0.0708 9 C6 4.5299 0.2735 1.4419 C.3 1 UNK 0.0689 10 C7 4.6149 0.9419 2.7899 C.2 1 UNK 0.3129 11 O 4.6667 2.1467 2.8646 O.2 1 UNK -0.2504 12 O1 4.6330 0.1987 3.9075 O.3 1 UNK -0.4412 13 C8 4.7161 0.9098 5.1707 C.3 1 UNK 0.2129 14 C9 6.1296 1.0942 5.5380 C.1 1 UNK 0.1123 15 N 7.2204 1.2365 5.8213 N.1 1 UNK -0.1923 16 C10 4.0185 0.1128 6.2427 C.ar 1 UNK 0.0103 17 C11 4.1577 -1.2626 6.2820 C.ar 1 UNK -0.0538 18 C12 3.5194 -1.9967 7.2643 C.ar 1 UNK -0.0579 19 C13 2.7401 -1.3576 8.2094 C.ar 1 UNK -0.0193 20 C14 2.5988 0.0220 8.1722 C.ar 1 UNK 0.1288 21 C15 3.2452 0.7571 7.1885 C.ar 1 UNK -0.0116 22 O2 1.8328 0.6529 9.1005 O.3 1 UNK -0.4560 23 C16 1.6350 1.9902 8.9623 C.ar 1 UNK 0.1284 24 C17 0.5702 2.4608 8.2073 C.ar 1 UNK -0.0193 25 C18 0.3714 3.8207 8.0683 C.ar 1 UNK -0.0583 26 C19 1.2326 4.7127 8.6803 C.ar 1 UNK -0.0615 27 C20 2.2948 4.2463 9.4328 C.ar 1 UNK -0.0583 28 C21 2.4942 2.8874 9.5805 C.ar 1 UNK -0.0193 29 H 3.6484 3.1319 0.1636 H 1 UNK 0.0235 30 H1 5.3634 3.1021 -0.1697 H 1 UNK 0.0235 31 H2 4.7872 2.8831 1.4653 H 1 UNK 0.0235 32 H3 2.8299 1.3875 -1.0980 H 1 UNK 0.0235 33 H4 3.3086 -0.2689 -0.8144 H 1 UNK 0.0235 34 H5 4.2577 0.7455 -1.8742 H 1 UNK 0.0235 35 H6 6.3580 -0.3602 0.0070 H 1 UNK 0.0357 36 H7 6.8958 1.6344 1.9346 H 1 UNK 0.0598 37 H8 3.9107 -0.5174 1.8107 H 1 UNK 0.0425 38 H9 4.2452 1.8657 5.0735 H 1 UNK 0.0948 39 H10 4.7391 -1.7418 5.5768 H 1 UNK 0.0622 40 H11 3.6251 -3.0229 7.2917 H 1 UNK 0.0619 41 H12 2.2636 -1.9060 8.9423 H 1 UNK 0.0654 42 H13 3.1482 1.7842 7.1637 H 1 UNK 0.0658 43 H14 -0.0726 1.7955 7.7500 H 1 UNK 0.0654 44 H15 -0.4206 4.1712 7.5072 H 1 UNK 0.0619 45 H16 1.0824 5.7283 8.5753 H 1 UNK 0.0618 46 H17 2.9391 4.9140 9.8845 H 1 UNK 0.0619 47 H18 3.2815 2.5398 10.1501 H 1 UNK 0.0654 @BOND 1 1 2 1 2 2 9 1 3 2 3 1 4 2 4 1 5 4 5 1 6 4 9 1 7 5 6 2 8 6 7 1 9 6 8 1 10 9 10 1 11 10 11 2 12 10 12 1 13 12 13 1 14 13 14 1 15 13 16 1 16 14 15 3 17 16 21 ar 18 16 17 ar 19 17 18 ar 20 18 19 ar 21 19 20 ar 22 20 21 ar 23 20 22 1 24 22 23 1 25 23 28 ar 26 23 24 ar 27 24 25 ar 28 25 26 ar 29 26 27 ar 30 27 28 ar 31 1 29 1 32 1 30 1 33 1 31 1 34 3 32 1 35 3 33 1 36 3 34 1 37 4 35 1 38 5 36 1 39 9 37 1 40 13 38 1 41 17 39 1 42 18 40 1 43 19 41 1 44 21 42 1 45 24 43 1 46 25 44 1 47 26 45 1 48 27 46 1 49 28 47 1