@MOLECULE FDBD03018 42 42 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.7810 1.8703 0.2477 C.3 1 UNK -0.0305 2 C1 -0.7528 0.3904 0.6350 C.3 1 UNK 0.0913 3 O -1.9026 -0.2829 0.0581 O.3 1 UNK -0.4504 4 C2 -2.0272 -1.6001 0.3058 C.2 1 UNK 0.4058 5 O1 -1.1981 -2.1715 0.9853 O.2 1 UNK -0.2261 6 N -3.0719 -2.2850 -0.2001 N.am 1 UNK -0.2328 7 C3 -3.1967 -3.6039 0.0479 C.2 1 UNK 0.1434 8 S -2.0282 -4.4091 1.0056 S.2 1 UNK -0.0181 9 N1 -4.2414 -4.2888 -0.4580 N.am 1 UNK -0.2951 10 C4 -4.3191 -5.6765 -0.2844 C.ar 1 UNK 0.0541 11 C5 -3.1936 -6.4650 -0.4719 C.ar 1 UNK -0.0387 12 C6 -3.2725 -7.8341 -0.2996 C.ar 1 UNK -0.0599 13 C7 -4.4716 -8.4221 0.0597 C.ar 1 UNK -0.0599 14 C8 -5.5982 -7.6441 0.2487 C.ar 1 UNK -0.0387 15 C9 -5.5271 -6.2688 0.0831 C.ar 1 UNK 0.0541 16 N2 -6.6670 -5.4785 0.2745 N.am 1 UNK -0.2937 17 C10 -7.8378 -5.8370 -0.2888 C.2 1 UNK 0.1647 18 S1 -7.9624 -7.3209 -1.1335 S.2 1 UNK -0.0163 19 N3 -8.9070 -5.0300 -0.1873 N.am 1 UNK -0.1242 20 C11 -10.0761 -5.4253 -0.6462 C.2 1 UNK 0.3786 21 O2 -10.1762 -6.5838 -1.3242 O.2 1 UNK -0.4673 22 O3 -11.1710 -4.6709 -0.4374 O.2 1 UNK -0.4518 23 C12 -10.9885 -3.4343 0.3014 C.3 1 UNK 0.0912 24 C13 -12.3338 -2.7185 0.4381 C.3 1 UNK -0.0305 25 H 0.0821 2.3758 0.6808 H 1 UNK 0.0262 26 H1 -0.7491 1.9624 -0.8379 H 1 UNK 0.0262 27 H2 -1.6963 2.3270 0.6244 H 1 UNK 0.0262 28 H3 0.1625 -0.0663 0.2584 H 1 UNK 0.0695 29 H4 -0.7847 0.2983 1.7207 H 1 UNK 0.0695 30 H5 -3.7340 -1.8288 -0.7427 H 1 UNK 0.1599 31 H6 -4.9395 -3.8208 -0.9423 H 1 UNK 0.1539 32 H7 -2.2557 -6.0093 -0.7529 H 1 UNK 0.0637 33 H8 -2.3952 -8.4467 -0.4464 H 1 UNK 0.0618 34 H9 -4.5279 -9.4924 0.1927 H 1 UNK 0.0618 35 H10 -6.5331 -8.1067 0.5289 H 1 UNK 0.0637 36 H11 -6.6141 -4.6731 0.8124 H 1 UNK 0.1539 37 H12 -11.0552 -6.8321 -1.6416 H 1 UNK 0.2967 38 H13 -10.5937 -3.6581 1.2924 H 1 UNK 0.0695 39 H14 -10.2879 -2.7922 -0.2324 H 1 UNK 0.0695 40 H15 -13.0345 -3.3606 0.9718 H 1 UNK 0.0262 41 H16 -12.1968 -1.7902 0.9927 H 1 UNK 0.0262 42 H17 -12.7287 -2.4947 -0.5530 H 1 UNK 0.0262 @BOND 1 1 2 1 2 1 25 1 3 1 26 1 4 1 27 1 5 2 3 1 6 2 28 1 7 2 29 1 8 3 4 1 9 4 5 2 10 4 6 am 11 6 7 1 12 6 30 1 13 7 8 2 14 7 9 1 15 9 10 1 16 9 31 1 17 10 15 ar 18 10 11 ar 19 11 12 ar 20 11 32 1 21 12 13 ar 22 12 33 1 23 13 14 ar 24 13 34 1 25 14 15 ar 26 14 35 1 27 15 16 1 28 16 17 1 29 16 36 1 30 17 18 2 31 17 19 1 32 19 20 2 33 20 21 1 34 20 22 1 35 21 37 1 36 22 23 1 37 23 24 1 38 23 38 1 39 23 39 1 40 24 40 1 41 24 41 1 42 24 42 1