@MOLECULE FDBD03041 40 40 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.1915 1.5251 0.1252 C.3 1 UNK -0.0307 2 C1 0.2414 -0.0040 0.1257 C.3 1 UNK 0.0870 3 O 0.6894 -0.4664 -1.1501 O.3 1 UNK -0.4886 4 C2 0.7906 -1.8128 -1.3186 C.ar 1 UNK 0.1620 5 C3 0.4600 -2.6678 -0.2797 C.ar 1 UNK -0.0145 6 C4 0.5624 -4.0355 -0.4493 C.ar 1 UNK -0.0367 7 C5 0.9970 -4.5556 -1.6609 C.ar 1 UNK 0.0401 8 C6 1.3290 -3.7020 -2.7038 C.ar 1 UNK 0.0050 9 C7 1.2207 -2.3313 -2.5361 C.ar 1 UNK 0.1636 10 O1 1.5449 -1.4930 -3.5566 O.3 1 UNK -0.4885 11 C8 1.9901 -2.0946 -4.7739 C.3 1 UNK 0.0870 12 C9 2.3060 -1.0018 -5.7971 C.3 1 UNK -0.0307 13 N 1.1011 -5.9428 -1.8308 N.am 1 UNK -0.2510 14 C10 0.2065 -6.7626 -1.2441 C.2 1 UNK 0.4048 15 O2 -0.6389 -6.3064 -0.4999 O.2 1 UNK -0.2261 16 O3 0.2495 -8.0871 -1.4827 O.3 1 UNK -0.4474 17 C11 -0.7449 -8.9094 -0.8169 C.3 1 UNK 0.0991 18 C12 -1.9868 -9.0256 -1.7029 C.3 1 UNK -0.0279 19 C13 -0.1672 -10.3033 -0.5633 C.3 1 UNK -0.0279 20 H 1.1870 1.9211 -0.0757 H 1 UNK 0.0262 21 H1 -0.4978 1.8660 -0.6473 H 1 UNK 0.0262 22 H2 -0.1502 1.8778 1.0984 H 1 UNK 0.0262 23 H3 0.9307 -0.3449 0.8982 H 1 UNK 0.0694 24 H4 -0.7541 -0.4000 0.3266 H 1 UNK 0.0694 25 H5 0.1224 -2.2650 0.6638 H 1 UNK 0.0656 26 H6 0.3043 -4.7004 0.3617 H 1 UNK 0.0637 27 H7 1.6675 -4.1062 -3.6463 H 1 UNK 0.0674 28 H8 2.8876 -2.6826 -4.5816 H 1 UNK 0.0694 29 H9 1.2073 -2.7440 -5.1658 H 1 UNK 0.0694 30 H10 3.0888 -0.3524 -5.4052 H 1 UNK 0.0262 31 H11 2.6457 -1.4607 -6.7257 H 1 UNK 0.0262 32 H12 1.4086 -0.4138 -5.9895 H 1 UNK 0.0262 33 H13 1.8170 -6.3130 -2.3706 H 1 UNK 0.1582 34 H14 -1.0182 -8.4510 0.1335 H 1 UNK 0.0729 35 H15 -1.7135 -9.4840 -2.6533 H 1 UNK 0.0265 36 H16 -2.7333 -9.6429 -1.2031 H 1 UNK 0.0265 37 H17 -2.3984 -8.0326 -1.8835 H 1 UNK 0.0265 38 H18 0.7176 -10.2206 0.0679 H 1 UNK 0.0265 39 H19 -0.9137 -10.9206 -0.0635 H 1 UNK 0.0265 40 H20 0.1061 -10.7617 -1.5137 H 1 UNK 0.0265 @BOND 1 1 2 1 2 1 20 1 3 1 21 1 4 1 22 1 5 2 3 1 6 2 23 1 7 2 24 1 8 3 4 1 9 4 9 ar 10 4 5 ar 11 5 6 ar 12 5 25 1 13 6 7 ar 14 6 26 1 15 7 8 ar 16 7 13 1 17 8 9 ar 18 8 27 1 19 9 10 1 20 10 11 1 21 11 12 1 22 11 28 1 23 11 29 1 24 12 30 1 25 12 31 1 26 12 32 1 27 13 14 am 28 13 33 1 29 14 15 2 30 14 16 1 31 16 17 1 32 17 18 1 33 17 19 1 34 17 34 1 35 18 35 1 36 18 36 1 37 18 37 1 38 19 38 1 39 19 39 1 40 19 40 1