@MOLECULE FDBD03017 34 35 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.5814 0.2163 3.0468 C.3 1 UNK 0.0833 2 O 0.4015 -0.8261 2.0522 O.3 1 UNK -0.4534 3 C1 -0.8045 -1.4220 2.0028 C.2 1 UNK 0.4056 4 O1 -1.6826 -1.0805 2.7696 O.2 1 UNK -0.2261 5 N -1.0378 -2.3975 1.1026 N.am 1 UNK -0.2328 6 C2 -2.2453 -2.9941 1.0531 C.2 1 UNK 0.1434 7 S -3.4828 -2.5129 2.1338 S.2 1 UNK -0.0181 8 N1 -2.4786 -3.9696 0.1528 N.am 1 UNK -0.2949 9 C3 -3.6917 -4.6629 0.1725 C.ar 1 UNK 0.0583 10 C4 -4.8805 -3.9804 0.3793 C.ar 1 UNK -0.0384 11 C5 -6.0796 -4.6676 0.3990 C.ar 1 UNK -0.0599 12 C6 -6.1040 -6.0394 0.2128 C.ar 1 UNK -0.0596 13 C7 -4.9309 -6.7346 0.0052 C.ar 1 UNK -0.0345 14 C8 -3.7127 -6.0523 -0.0229 C.ar 1 UNK 0.0851 15 N2 -2.5471 -6.7351 -0.2281 N.2 1 UNK -0.2501 16 C9 -2.2925 -7.8163 0.4619 C.2 1 UNK 0.0705 17 C10 -1.0412 -8.4690 0.3215 C.ar 1 UNK 0.1457 18 C11 -0.6487 -9.6046 0.9753 C.ar 1 UNK -0.0150 19 C12 0.6536 -9.8932 0.5363 C.ar 1 UNK -0.0233 20 C13 0.9951 -8.9358 -0.3532 C.ar 1 UNK 0.0926 21 O2 -0.0311 -8.0822 -0.4847 O.2 1 UNK -0.4620 22 H 1.5949 0.6118 2.9793 H 1 UNK 0.0661 23 H1 -0.1343 1.0182 2.8663 H 1 UNK 0.0661 24 H2 0.4188 -0.1987 4.0415 H 1 UNK 0.0661 25 H3 -0.3367 -2.6702 0.4902 H 1 UNK 0.1599 26 H4 -1.8045 -4.1904 -0.5087 H 1 UNK 0.1539 27 H5 -4.8697 -2.9104 0.5257 H 1 UNK 0.0637 28 H6 -7.0030 -4.1314 0.5609 H 1 UNK 0.0618 29 H7 -7.0459 -6.5676 0.2305 H 1 UNK 0.0618 30 H8 -4.9548 -7.8046 -0.1396 H 1 UNK 0.0639 31 H9 -3.0352 -8.2123 1.1387 H 1 UNK 0.0867 32 H10 -1.2280 -10.1695 1.6907 H 1 UNK 0.0656 33 H11 1.2671 -10.7244 0.8512 H 1 UNK 0.0649 34 H12 1.9379 -8.8707 -0.8760 H 1 UNK 0.1029 @BOND 1 1 2 1 2 1 22 1 3 1 23 1 4 1 24 1 5 2 3 1 6 3 4 2 7 3 5 am 8 5 6 1 9 5 25 1 10 6 7 2 11 6 8 1 12 8 9 1 13 8 26 1 14 9 14 ar 15 9 10 ar 16 10 11 ar 17 10 27 1 18 11 12 ar 19 11 28 1 20 12 13 ar 21 12 29 1 22 13 14 ar 23 13 30 1 24 14 15 1 25 15 16 2 26 16 17 1 27 16 31 1 28 17 21 ar 29 17 18 ar 30 18 19 ar 31 18 32 1 32 19 20 ar 33 19 33 1 34 20 21 ar 35 20 34 1