@MOLECULE FDBD00133 49 52 0 0 0 SMALL USER_CHARGES @ATOM 1 C 3.7850 -4.8909 -1.0754 C.3 1 UNK -0.0183 2 C1 6.1152 -5.3623 -0.1247 C.3 1 UNK 0.0701 3 C2 5.4037 -5.3505 1.2503 C.3 1 UNK 0.0169 4 C3 3.8817 -5.5847 1.1104 C.3 1 UNK -0.0183 5 N 3.2985 -4.5298 0.2659 N.4 1 UNK 0.2375 6 C4 5.2973 -4.5819 -1.1793 C.3 1 UNK 0.0169 7 C5 3.6155 -6.8794 0.3167 C.3 1 UNK -0.0045 8 C6 3.5466 -6.4124 -1.1520 C.3 1 UNK -0.0045 9 C7 7.0050 -7.5223 0.3455 C.3 1 UNK 0.1090 10 O 6.2940 -6.7075 -0.5983 O.3 1 UNK -0.3637 11 C8 8.4654 -7.1031 0.4868 C.ar 1 UNK -0.0145 12 C9 6.9315 -8.9835 -0.0825 C.ar 1 UNK -0.0145 13 C10 8.9977 -6.8721 1.7576 C.ar 1 UNK -0.0558 14 C11 10.3318 -6.4806 1.8945 C.ar 1 UNK -0.0614 15 C12 11.1332 -6.3216 0.7609 C.ar 1 UNK -0.0617 16 C13 10.6013 -6.5552 -0.5099 C.ar 1 UNK -0.0614 17 C14 9.2671 -6.9464 -0.6471 C.ar 1 UNK -0.0558 18 C15 6.5279 -9.9531 0.8388 C.ar 1 UNK -0.0558 19 C16 6.4574 -11.2946 0.4548 C.ar 1 UNK -0.0614 20 C17 6.7904 -11.6662 -0.8505 C.ar 1 UNK -0.0617 21 C18 7.1932 -10.6963 -1.7722 C.ar 1 UNK -0.0614 22 C19 7.2629 -9.3547 -1.3885 C.ar 1 UNK -0.0558 23 C20 3.6327 -3.1576 0.6865 C.3 1 UNK -0.0426 24 H 3.2973 -4.3544 -1.8623 H 1 UNK 0.0852 25 H1 7.0682 -4.8953 0.0115 H 1 UNK 0.0600 26 H2 5.5668 -4.4014 1.7167 H 1 UNK 0.0345 27 H3 5.8097 -6.1442 1.8420 H 1 UNK 0.0345 28 H4 3.4707 -5.6129 2.0979 H 1 UNK 0.0852 29 H5 2.2806 -4.4968 0.3215 H 1 UNK 0.2036 30 H6 5.4480 -3.5334 -1.0283 H 1 UNK 0.0345 31 H7 5.6327 -4.8821 -2.1500 H 1 UNK 0.0345 32 H8 2.6907 -7.3259 0.6172 H 1 UNK 0.0322 33 H9 4.3693 -7.6218 0.4768 H 1 UNK 0.0322 34 H10 4.3064 -6.8868 -1.7373 H 1 UNK 0.0322 35 H11 2.6153 -6.6589 -1.6177 H 1 UNK 0.0322 36 H12 6.5386 -7.3913 1.2995 H 1 UNK 0.0697 37 H13 8.4058 -6.9906 2.5947 H 1 UNK 0.0621 38 H14 10.7254 -6.3088 2.8329 H 1 UNK 0.0618 39 H15 12.1184 -6.0315 0.8623 H 1 UNK 0.0618 40 H16 11.1938 -6.4388 -1.3468 H 1 UNK 0.0618 41 H17 8.8738 -7.1196 -1.5854 H 1 UNK 0.0621 42 H18 6.2819 -9.6785 1.8027 H 1 UNK 0.0621 43 H19 6.1594 -12.0111 1.1351 H 1 UNK 0.0618 44 H20 6.7388 -12.6572 -1.1338 H 1 UNK 0.0618 45 H21 7.4391 -10.9709 -2.7361 H 1 UNK 0.0618 46 H22 7.5591 -8.6379 -2.0693 H 1 UNK 0.0621 47 H23 4.6952 -3.0312 0.6795 H 1 UNK 0.0778 48 H24 3.2597 -2.9866 1.6747 H 1 UNK 0.0778 49 H25 3.1859 -2.4586 0.0107 H 1 UNK 0.0778 @BOND 1 6 1 1 2 1 8 1 3 2 3 1 4 10 2 1 5 3 4 1 6 4 5 1 7 4 7 1 8 1 5 1 9 5 23 1 10 2 6 1 11 8 7 1 12 9 11 1 13 9 12 1 14 10 9 1 15 11 13 ar 16 12 18 ar 17 13 14 ar 18 14 15 ar 19 15 16 ar 20 16 17 ar 21 17 11 ar 22 18 19 ar 23 19 20 ar 24 20 21 ar 25 21 22 ar 26 22 12 ar 27 1 24 1 28 2 25 1 29 3 26 1 30 3 27 1 31 4 28 1 32 5 29 1 33 6 30 1 34 6 31 1 35 7 32 1 36 7 33 1 37 8 34 1 38 8 35 1 39 9 36 1 40 13 37 1 41 14 38 1 42 15 39 1 43 16 40 1 44 17 41 1 45 18 42 1 46 19 43 1 47 20 44 1 48 21 45 1 49 22 46 1 50 23 47 1 51 23 48 1 52 23 49 1