@MOLECULE FDBD02280 46 47 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.5460 -1.9646 4.8956 C.3 1 UNK -0.0301 2 C1 3.4581 -0.7809 5.0900 C.2 1 UNK 0.0227 3 C2 3.0092 0.4500 4.8582 C.2 1 UNK -0.0665 4 C3 1.5886 0.6603 4.4013 C.3 1 UNK -0.0024 5 C4 1.0700 2.0987 4.3459 C.3 1 UNK 0.0689 6 C5 2.0188 3.1966 4.7524 C.2 1 UNK 0.3116 7 O 3.1035 3.2830 4.2271 O.2 1 UNK -0.2505 8 O1 1.6590 4.0786 5.6981 O.3 1 UNK -0.4595 9 C6 2.6232 5.1094 6.0393 C.3 1 UNK 0.1230 10 C7 2.0486 5.9998 7.1107 C.ar 1 UNK 0.0657 11 C8 1.3148 7.1195 6.7598 C.ar 1 UNK 0.1680 12 C9 0.7858 7.9385 7.7455 C.ar 1 UNK 0.1670 13 C10 0.9915 7.6363 9.0803 C.ar 1 UNK 0.0540 14 C11 0.4165 8.5265 10.1517 C.3 1 UNK 0.0779 15 O2 -0.8931 8.0710 10.4973 O.3 1 UNK -0.3782 16 C12 -1.5312 8.8507 11.5107 C.3 1 UNK 0.0369 17 C13 1.7249 6.5164 9.4311 C.ar 1 UNK 0.1670 18 C14 2.2498 5.6948 8.4455 C.ar 1 UNK 0.1680 19 F 2.9654 4.6012 8.7880 F 1 UNK -0.2020 20 F1 1.9257 6.2214 10.7341 F 1 UNK -0.2020 21 F2 0.0699 9.0318 7.4030 F 1 UNK -0.2020 22 F3 1.1144 7.4148 5.4568 F 1 UNK -0.2020 23 C15 1.3753 1.3451 3.0499 C.3 1 UNK -0.0144 24 C16 2.6205 1.7639 2.2657 C.3 1 UNK -0.0585 25 C17 0.1866 0.8839 2.2041 C.3 1 UNK -0.0585 26 C18 4.8080 -0.9807 5.5242 C.1 1 UNK 0.0942 27 N 5.8788 -1.1393 5.8686 N.1 1 UNK -0.1912 28 H 1.5846 -1.6246 4.5715 H 1 UNK 0.0284 29 H1 2.4444 -2.4924 5.8208 H 1 UNK 0.0284 30 H2 2.9613 -2.6173 4.1564 H 1 UNK 0.0284 31 H3 3.6338 1.2607 4.9913 H 1 UNK 0.0585 32 H4 1.2500 -0.2498 4.8507 H 1 UNK 0.0357 33 H5 0.2182 2.6121 4.7405 H 1 UNK 0.0425 34 H6 2.8434 5.6935 5.1703 H 1 UNK 0.0750 35 H7 3.5215 4.6526 6.3990 H 1 UNK 0.0750 36 H8 0.3603 9.5313 9.7883 H 1 UNK 0.0612 37 H9 1.0451 8.4948 11.0170 H 1 UNK 0.0612 38 H10 -2.5019 8.4482 11.7121 H 1 UNK 0.0524 39 H11 -1.6271 9.8622 11.1750 H 1 UNK 0.0524 40 H12 -0.9423 8.8256 12.4037 H 1 UNK 0.0524 41 H13 3.3869 2.0665 2.9483 H 1 UNK 0.0235 42 H14 2.3766 2.5803 1.6185 H 1 UNK 0.0235 43 H15 2.9689 0.9377 1.6818 H 1 UNK 0.0235 44 H16 -0.6257 0.6157 2.8468 H 1 UNK 0.0235 45 H17 0.4733 0.0354 1.6186 H 1 UNK 0.0235 46 H18 -0.1190 1.6780 1.5554 H 1 UNK 0.0235 @BOND 1 1 2 1 2 2 3 2 3 2 26 1 4 3 4 1 5 4 23 1 6 4 5 1 7 5 6 1 8 5 23 1 9 6 7 2 10 6 8 1 11 8 9 1 12 9 10 1 13 10 18 ar 14 10 11 ar 15 11 12 ar 16 11 22 1 17 12 13 ar 18 12 21 1 19 13 14 1 20 13 17 ar 21 14 15 1 22 15 16 1 23 17 18 ar 24 17 20 1 25 18 19 1 26 23 24 1 27 23 25 1 28 26 27 3 29 1 28 1 30 1 29 1 31 1 30 1 32 3 31 1 33 4 32 1 34 5 33 1 35 9 34 1 36 9 35 1 37 14 36 1 38 14 37 1 39 16 38 1 40 16 39 1 41 16 40 1 42 24 41 1 43 24 42 1 44 24 43 1 45 25 44 1 46 25 45 1 47 25 46 1