@MOLECULE FDBD01865 29 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.2247 1.8307 0.0145 C.3 1 UNK 0.0126 2 C1 0.0957 0.3062 0.0029 C.3 1 UNK 0.2486 3 C2 -1.3768 -0.1069 -0.0399 C.3 1 UNK 0.0126 4 O 0.8141 -0.2539 -1.1121 O.3 1 UNK -0.4480 5 C3 2.0665 -0.5237 -0.6406 C.ar 1 UNK 0.1705 6 C4 3.2625 -0.7686 -1.2984 C.ar 1 UNK -0.0159 7 C5 4.4130 -1.0203 -0.5752 C.ar 1 UNK -0.0546 8 C6 4.3774 -1.0290 0.8067 C.ar 1 UNK -0.0153 9 C7 3.1862 -0.7842 1.4727 C.ar 1 UNK 0.1784 10 C8 2.0266 -0.5311 0.7497 C.ar 1 UNK 0.2089 11 O1 0.7487 -0.2657 1.1517 O.3 1 UNK -0.4444 12 O2 3.1523 -0.7929 2.8324 O.3 1 UNK -0.4077 13 C9 2.7998 -1.9481 3.4277 C.2 1 UNK 0.4055 14 O3 2.4410 -2.8939 2.7543 O.2 1 UNK -0.2260 15 N 2.8448 -2.0555 4.7704 N.am 1 UNK -0.2838 16 C10 2.4613 -3.3123 5.4181 C.3 1 UNK 0.0032 17 H 1.2793 2.1062 0.0078 H 1 UNK 0.0304 18 H1 -0.2642 2.2435 -0.8679 H 1 UNK 0.0304 19 H2 -0.2491 2.2286 0.9119 H 1 UNK 0.0304 20 H3 -1.8408 0.2944 -0.9408 H 1 UNK 0.0304 21 H4 -1.4490 -1.1945 -0.0476 H 1 UNK 0.0304 22 H5 -1.8898 0.2850 0.8384 H 1 UNK 0.0304 23 H6 3.2948 -0.7631 -2.3779 H 1 UNK 0.0655 24 H7 5.3425 -1.2111 -1.0911 H 1 UNK 0.0620 25 H8 5.2786 -1.2265 1.3682 H 1 UNK 0.0655 26 H9 3.1312 -1.3005 5.3080 H 1 UNK 0.1517 27 H10 1.4265 -3.5480 5.1697 H 1 UNK 0.0427 28 H11 3.1108 -4.1145 5.0679 H 1 UNK 0.0427 29 H12 2.5612 -3.2095 6.4986 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 5 10 ar 13 5 6 ar 14 6 7 ar 15 6 23 1 16 7 8 ar 17 7 24 1 18 8 9 ar 19 8 25 1 20 9 10 ar 21 9 12 1 22 10 11 1 23 12 13 1 24 13 14 2 25 13 15 am 26 15 16 1 27 15 26 1 28 16 27 1 29 16 28 1 30 16 29 1