@MOLECULE FDBD01867 58 59 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.8588 0.9338 4.7429 C.3 1 UNK -0.0306 2 C1 -1.4943 -0.4470 4.1939 C.3 1 UNK 0.0896 3 O -2.5570 -0.9179 3.3238 O.3 1 UNK -0.4649 4 C2 -2.3913 -2.1233 2.7569 C.2 1 UNK 0.3083 5 O1 -1.3914 -2.7637 2.9803 O.2 1 UNK -0.2508 6 C3 -3.4524 -2.6778 1.8417 C.3 1 UNK 0.0586 7 C4 -3.0195 -4.0547 1.3342 C.3 1 UNK 0.0213 8 N -4.1068 -4.6503 0.5462 N.3 1 UNK -0.2303 9 C5 -4.3410 -3.8885 -0.6878 C.3 1 UNK 0.0167 10 C6 -3.2457 -4.2156 -1.7048 C.3 1 UNK -0.0488 11 C7 -5.7053 -4.2653 -1.2687 C.3 1 UNK -0.0488 12 S -3.7734 -6.3463 0.1888 S.3 1 UNK 0.0356 13 N1 -5.2394 -6.9119 -0.3341 N.am 1 UNK -0.2005 14 C8 -5.4144 -7.3091 -1.7334 C.3 1 UNK 0.0190 15 C9 -6.2714 -7.0069 0.5275 C.2 1 UNK 0.4187 16 O2 -7.3471 -7.4219 0.1437 O.2 1 UNK -0.2249 17 O3 -6.1105 -6.6418 1.8136 O.3 1 UNK -0.4071 18 C10 -7.2169 -6.6622 2.6043 C.ar 1 UNK 0.1749 19 C11 -7.9634 -5.5098 2.7770 C.ar 1 UNK -0.0155 20 C12 -9.0894 -5.5222 3.5786 C.ar 1 UNK -0.0578 21 C13 -9.4733 -6.6934 4.2075 C.ar 1 UNK -0.0547 22 C14 -8.7347 -7.8441 4.0350 C.ar 1 UNK 0.0017 23 C15 -8.9098 -9.2543 4.5646 C.3 1 UNK 0.0154 24 C16 -7.9707 -10.0629 3.6385 C.3 1 UNK 0.1093 25 C17 -7.2837 -11.1894 4.4131 C.3 1 UNK -0.0249 26 C18 -8.7407 -10.6225 2.4407 C.3 1 UNK -0.0249 27 O4 -7.0131 -9.0765 3.2175 O.3 1 UNK -0.4820 28 C19 -7.6005 -7.8477 3.2357 C.ar 1 UNK 0.1667 29 H -1.0756 1.2808 5.3841 H 1 UNK 0.0262 30 H1 -2.7712 0.8675 5.2980 H 1 UNK 0.0262 31 H2 -1.9845 1.6188 3.9306 H 1 UNK 0.0262 32 H3 -1.3686 -1.1320 5.0062 H 1 UNK 0.0694 33 H4 -0.5819 -0.3806 3.6388 H 1 UNK 0.0694 34 H5 -3.5871 -2.0175 1.0106 H 1 UNK 0.0390 35 H6 -4.3738 -2.7689 2.3779 H 1 UNK 0.0390 36 H7 -2.7948 -4.6874 2.1673 H 1 UNK 0.0442 37 H8 -2.1494 -3.9511 0.7201 H 1 UNK 0.0442 38 H9 -4.3234 -2.8412 -0.4691 H 1 UNK 0.0467 39 H10 -3.2633 -5.2629 -1.9235 H 1 UNK 0.0245 40 H11 -2.2916 -3.9520 -1.2986 H 1 UNK 0.0245 41 H12 -3.4163 -3.6606 -2.6036 H 1 UNK 0.0245 42 H13 -5.7229 -5.3126 -1.4874 H 1 UNK 0.0245 43 H14 -5.8759 -3.7103 -2.1675 H 1 UNK 0.0245 44 H15 -6.4713 -4.0365 -0.5575 H 1 UNK 0.0245 45 H16 -4.4954 -7.1658 -2.2624 H 1 UNK 0.0440 46 H17 -6.1805 -6.7110 -2.1808 H 1 UNK 0.0440 47 H18 -5.6950 -8.3406 -1.7789 H 1 UNK 0.0440 48 H19 -7.6782 -4.6374 2.3053 H 1 UNK 0.0655 49 H20 -9.6422 -4.6604 3.7077 H 1 UNK 0.0619 50 H21 -10.3137 -6.7053 4.8064 H 1 UNK 0.0621 51 H22 -9.9242 -9.5816 4.4716 H 1 UNK 0.0353 52 H23 -8.6829 -9.3562 5.6053 H 1 UNK 0.0353 53 H24 -8.0137 -11.9107 4.7160 H 1 UNK 0.0268 54 H25 -6.8016 -10.7848 5.2784 H 1 UNK 0.0268 55 H26 -6.5554 -11.6605 3.7866 H 1 UNK 0.0268 56 H27 -9.4455 -11.3529 2.7794 H 1 UNK 0.0268 57 H28 -8.0551 -11.0785 1.7574 H 1 UNK 0.0268 58 H29 -9.2601 -9.8275 1.9476 H 1 UNK 0.0268 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 6 7 1 7 7 8 1 8 8 9 1 9 8 12 1 10 9 10 1 11 9 11 1 12 12 13 1 13 13 14 1 14 13 15 am 15 15 16 2 16 15 17 1 17 17 18 1 18 18 28 ar 19 18 19 ar 20 19 20 ar 21 20 21 ar 22 21 22 ar 23 22 28 ar 24 22 23 1 25 23 24 1 26 24 25 1 27 24 26 1 28 24 27 1 29 27 28 1 30 1 29 1 31 1 30 1 32 1 31 1 33 2 32 1 34 2 33 1 35 6 34 1 36 6 35 1 37 7 36 1 38 7 37 1 39 9 38 1 40 10 39 1 41 10 40 1 42 10 41 1 43 11 42 1 44 11 43 1 45 11 44 1 46 14 45 1 47 14 46 1 48 14 47 1 49 19 48 1 50 20 49 1 51 21 50 1 52 23 51 1 53 23 52 1 54 25 53 1 55 25 54 1 56 25 55 1 57 26 56 1 58 26 57 1 59 26 58 1