@MOLECULE FDBD02281 46 47 0 0 0 SMALL USER_CHARGES @ATOM 1 C 2.7824 -0.1401 -0.5657 C.3 1 UNK -0.0301 2 C1 2.4639 -1.4484 0.1111 C.2 1 UNK 0.0227 3 C2 1.4612 -1.5197 0.9828 C.2 1 UNK -0.0665 4 C3 1.1427 -2.8279 1.6595 C.3 1 UNK -0.0024 5 C4 -0.1399 -2.8996 2.4906 C.3 1 UNK 0.0689 6 C5 -0.8958 -4.2033 2.4927 C.2 1 UNK 0.3116 7 O -0.4585 -5.1561 1.8920 O.2 1 UNK -0.2505 8 O1 -2.0548 -4.3060 3.1619 O.3 1 UNK -0.4595 9 C6 -2.7283 -5.5917 3.1203 C.3 1 UNK 0.1230 10 C7 -4.0023 -5.5175 3.9217 C.ar 1 UNK 0.0657 11 C8 -3.9894 -5.8224 5.2716 C.ar 1 UNK 0.1680 12 C9 -5.1615 -5.7537 6.0090 C.ar 1 UNK 0.1670 13 C10 -6.3443 -5.3803 5.3952 C.ar 1 UNK 0.0540 14 C11 -7.6183 -5.3056 6.1967 C.3 1 UNK 0.0779 15 O2 -7.7635 -3.9915 6.7391 O.3 1 UNK -0.3782 16 C12 -8.9462 -3.8129 7.5209 C.3 1 UNK 0.0369 17 C13 -6.3571 -5.0750 4.0454 C.ar 1 UNK 0.1670 18 C14 -5.1841 -5.1391 3.3091 C.ar 1 UNK 0.1680 19 F -5.1966 -4.8407 1.9915 F 1 UNK -0.2020 20 F1 -7.5118 -4.7105 3.4462 F 1 UNK -0.2020 21 F2 -5.1490 -6.0517 7.3267 F 1 UNK -0.2020 22 F3 -2.8348 -6.1873 5.8707 F 1 UNK -0.2020 23 C15 1.2231 -2.8712 3.1868 C.3 1 UNK -0.0144 24 C16 1.7138 -4.1688 3.8320 C.3 1 UNK -0.0585 25 C17 1.6202 -1.5829 3.9102 C.3 1 UNK -0.0585 26 C18 3.2403 -2.6148 -0.1841 C.1 1 UNK 0.0942 27 N 3.8563 -3.5402 -0.4183 N.1 1 UNK -0.1912 28 H 2.1031 0.6128 -0.2242 H 1 UNK 0.0284 29 H1 2.6855 -0.2538 -1.6252 H 1 UNK 0.0284 30 H2 3.7847 0.1496 -0.3282 H 1 UNK 0.0284 31 H3 0.9016 -0.6791 1.1955 H 1 UNK 0.0585 32 H4 1.5617 -3.4063 0.8627 H 1 UNK 0.0357 33 H5 -1.0348 -2.3164 2.5540 H 1 UNK 0.0425 34 H6 -2.0891 -6.3428 3.5353 H 1 UNK 0.0750 35 H7 -2.9592 -5.8407 2.1056 H 1 UNK 0.0750 36 H8 -7.5805 -6.0183 6.9939 H 1 UNK 0.0612 37 H9 -8.4520 -5.5238 5.5625 H 1 UNK 0.0612 38 H10 -8.9819 -2.8090 7.8895 H 1 UNK 0.0524 39 H11 -8.9354 -4.4952 8.3450 H 1 UNK 0.0524 40 H12 -9.8069 -4.0007 6.9136 H 1 UNK 0.0524 41 H13 1.3832 -5.0037 3.2501 H 1 UNK 0.0235 42 H14 1.3184 -4.2460 4.8233 H 1 UNK 0.0235 43 H15 2.7830 -4.1642 3.8738 H 1 UNK 0.0235 44 H16 1.2289 -0.7405 3.3791 H 1 UNK 0.0235 45 H17 2.6870 -1.5127 3.9540 H 1 UNK 0.0235 46 H18 1.2225 -1.5945 4.9035 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