@MOLECULE FDBD02927 29 30 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0311 1.4072 0.6637 C.3 1 UNK -0.0057 2 C1 -0.0148 -0.0793 0.4169 C.2 1 UNK 0.1130 3 C2 -1.1940 -0.6727 0.2078 C.2 1 UNK 0.1072 4 C3 -2.4175 0.1323 0.1972 C.2 1 UNK 0.2578 5 O -2.3567 1.3346 0.3782 O.2 1 UNK -0.2692 6 N -3.6108 -0.4580 -0.0128 N.am 1 UNK -0.2810 7 C4 -4.7872 0.2929 0.0738 C.ar 1 UNK 0.0337 8 C5 -5.9417 -0.2794 0.5923 C.ar 1 UNK -0.0405 9 C6 -7.1018 0.4651 0.6768 C.ar 1 UNK -0.0600 10 C7 -7.1150 1.7789 0.2456 C.ar 1 UNK -0.0616 11 C8 -5.9673 2.3518 -0.2712 C.ar 1 UNK -0.0600 12 C9 -4.8024 1.6145 -0.3532 C.ar 1 UNK -0.0405 13 S -1.2940 -2.4155 -0.0563 S.3 1 UNK -0.1136 14 C10 0.4482 -2.8370 -0.3764 C.3 1 UNK 0.0328 15 C11 1.2977 -2.0818 0.6591 C.3 1 UNK 0.0984 16 O1 1.1772 -0.6819 0.4219 O.2 1 UNK -0.4944 17 H 0.9886 1.7619 0.8133 H 1 UNK 0.0308 18 H1 -0.4694 1.9135 -0.1963 H 1 UNK 0.0308 19 H2 -0.6244 1.6214 1.5526 H 1 UNK 0.0308 20 H3 -3.6535 -1.4037 -0.2241 H 1 UNK 0.1551 21 H4 -5.9322 -1.3057 0.9286 H 1 UNK 0.0636 22 H5 -7.9998 0.0207 1.0799 H 1 UNK 0.0618 23 H6 -8.0237 2.3588 0.3121 H 1 UNK 0.0618 24 H7 -5.9809 3.3781 -0.6072 H 1 UNK 0.0618 25 H8 -3.9064 2.0625 -0.7570 H 1 UNK 0.0636 26 H9 0.5964 -3.9111 -0.2655 H 1 UNK 0.0413 27 H10 0.7264 -2.5251 -1.3830 H 1 UNK 0.0413 28 H11 0.9436 -2.3172 1.6627 H 1 UNK 0.0705 29 H12 2.3418 -2.3787 0.5605 H 1 UNK 0.0705 @BOND 1 1 2 1 2 1 17 1 3 1 18 1 4 1 19 1 5 2 16 1 6 2 3 2 7 3 4 1 8 3 13 1 9 4 5 2 10 4 6 am 11 6 7 1 12 6 20 1 13 7 12 ar 14 7 8 ar 15 8 9 ar 16 8 21 1 17 9 10 ar 18 9 22 1 19 10 11 ar 20 10 23 1 21 11 12 ar 22 11 24 1 23 12 25 1 24 13 14 1 25 14 15 1 26 14 26 1 27 14 27 1 28 15 16 1 29 15 28 1 30 15 29 1