@MOLECULE FDBD01868 31 32 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.2297 1.8402 0.0238 C.3 1 UNK -0.0249 2 C1 0.1012 0.3158 -0.0002 C.3 1 UNK 0.1093 3 C2 -1.3702 -0.1015 -0.0443 C.3 1 UNK -0.0249 4 C3 0.8805 -0.2814 -1.1957 C.3 1 UNK 0.0154 5 C4 2.2268 -0.5904 -0.5696 C.ar 1 UNK 0.0017 6 C5 3.4582 -0.8770 -1.1192 C.ar 1 UNK -0.0547 7 C6 4.5448 -1.1179 -0.2979 C.ar 1 UNK -0.0578 8 C7 4.3923 -1.0699 1.0755 C.ar 1 UNK -0.0155 9 C8 3.1574 -0.7861 1.6310 C.ar 1 UNK 0.1749 10 C9 2.0556 -0.5454 0.8062 C.ar 1 UNK 0.1667 11 O 0.7628 -0.2692 1.1344 O.3 1 UNK -0.4820 12 O1 3.0155 -0.7418 2.9829 O.3 1 UNK -0.4078 13 C10 2.6001 -1.8689 3.5913 C.2 1 UNK 0.4055 14 O2 2.2827 -2.8361 2.9275 O.2 1 UNK -0.2260 15 N 2.5363 -1.9245 4.9364 N.am 1 UNK -0.2838 16 C11 2.0842 -3.1508 5.5983 C.3 1 UNK 0.0032 17 H 1.2842 2.1159 0.0233 H 1 UNK 0.0268 18 H1 -0.2560 2.2596 -0.8573 H 1 UNK 0.0268 19 H2 -0.2476 2.2309 0.9224 H 1 UNK 0.0268 20 H3 -1.8335 0.2953 -0.9476 H 1 UNK 0.0268 21 H4 -1.4394 -1.1893 -0.0482 H 1 UNK 0.0268 22 H5 -1.8859 0.2922 0.8316 H 1 UNK 0.0268 23 H6 0.4014 -1.1910 -1.5578 H 1 UNK 0.0353 24 H7 0.9826 0.4493 -1.9981 H 1 UNK 0.0353 25 H8 3.5745 -0.9138 -2.1923 H 1 UNK 0.0621 26 H9 5.5094 -1.3431 -0.7281 H 1 UNK 0.0619 27 H10 5.2408 -1.2552 1.7175 H 1 UNK 0.0655 28 H11 2.7896 -1.1525 5.4663 H 1 UNK 0.1517 29 H12 1.0693 -3.3843 5.2767 H 1 UNK 0.0427 30 H13 2.7481 -3.9732 5.3320 H 1 UNK 0.0427 31 H14 2.0990 -3.0071 6.6787 H 1 UNK 0.0427 @BOND 1 1 2 1 2 1 17 1 3 1 18 1 4 1 19 1 5 2 11 1 6 2 3 1 7 2 4 1 8 3 20 1 9 3 21 1 10 3 22 1 11 4 5 1 12 4 23 1 13 4 24 1 14 5 10 ar 15 5 6 ar 16 6 7 ar 17 6 25 1 18 7 8 ar 19 7 26 1 20 8 9 ar 21 8 27 1 22 9 10 ar 23 9 12 1 24 10 11 1 25 12 13 1 26 13 14 2 27 13 15 am 28 15 16 1 29 15 28 1 30 16 29 1 31 16 30 1 32 16 31 1