@MOLECULE FDBD02968 56 57 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0178 1.4608 0.0101 C.3 1 UNK 0.0560 2 N 0.0021 -0.0041 0.0020 N.pl3 1 UNK -0.2653 3 C1 0.0241 -0.7433 1.2666 C.3 1 UNK 0.0684 4 C2 -1.4105 -1.0203 1.7205 C.3 1 UNK -0.0064 5 C3 -1.3875 -1.7923 3.0413 C.3 1 UNK 0.0159 6 H -0.7985 -1.2409 3.7742 H 1 UNK 0.0464 7 C4 -2.8175 -1.9607 3.5586 C.3 1 UNK 0.0392 8 C5 -2.7868 -2.6118 4.9173 C.2 1 UNK 0.2150 9 O -1.7256 -2.9116 5.4222 O.2 1 UNK -0.2757 10 N1 -3.9385 -2.8609 5.5714 N.am 1 UNK -0.3060 11 C6 -3.9086 -3.4939 6.8923 C.3 1 UNK 0.0783 12 H1 -3.0898 -4.2122 6.9321 H 1 UNK 0.0574 13 C7 -3.7036 -2.4419 7.9472 C.2 1 UNK -0.0607 14 C8 -4.3744 -2.4287 9.0605 C.2 1 UNK -0.0369 15 C9 -5.4209 -3.4537 9.3938 C.3 1 UNK 0.1594 16 H2 -6.4102 -3.0117 9.2753 H 1 UNK 0.0887 17 N2 -5.2476 -3.8913 10.7812 N.ar 1 UNK -0.2724 18 C10 -4.5143 -5.0170 11.0448 C.ar 1 UNK 0.0156 19 C11 -4.3565 -5.4165 12.3219 C.ar 1 UNK -0.0015 20 C12 -4.9843 -4.6184 13.3838 C.ar 1 UNK 0.1520 21 N3 -4.8583 -4.9683 14.6501 N.2 1 UNK -0.2819 22 N4 -5.6921 -3.5204 13.0416 N.ar 1 UNK -0.1779 23 C13 -5.8124 -3.1701 11.7839 C.ar 1 UNK 0.2998 24 O1 -6.5261 -2.0672 11.4762 O.3 1 UNK -0.4795 25 O2 -5.2989 -4.5818 8.5252 O.3 1 UNK -0.3363 26 C14 -5.2348 -4.2180 7.1409 C.3 1 UNK 0.1792 27 H3 -6.0659 -3.5565 6.8962 H 1 UNK 0.0736 28 C15 -5.3043 -5.4575 6.2866 C.2 1 UNK 0.3362 29 O3 -5.3079 -6.5489 6.8048 O.2 1 UNK -0.2480 30 O4 -5.3621 -5.3490 4.9499 O.3 1 UNK -0.4788 31 N5 -0.7861 -3.1150 2.8249 N.3 1 UNK -0.3267 32 C16 0.0000 -0.6850 -1.1923 C.cat 1 UNK 0.3783 33 N6 0.0177 -1.9883 -1.1995 N.pl3 1 UNK -0.1296 34 N7 -0.0207 0.0087 -2.3791 N.pl3 1 UNK -0.2891 35 H4 1.0048 1.8381 0.0023 H 1 UNK 0.0620 36 H5 -0.5450 1.8219 -0.8730 H 1 UNK 0.0620 37 H6 -0.5280 1.8123 0.9069 H 1 UNK 0.0620 38 H7 0.5496 -1.6879 1.1262 H 1 UNK 0.0657 39 H8 0.5371 -0.1514 2.0246 H 1 UNK 0.0657 40 H9 -1.9359 -0.0757 1.8610 H 1 UNK 0.0311 41 H10 -1.9235 -1.6122 0.9626 H 1 UNK 0.0311 42 H11 -3.2938 -0.9832 3.6348 H 1 UNK 0.0374 43 H12 -3.3822 -2.5872 2.8682 H 1 UNK 0.0374 44 H13 -4.7872 -2.6211 5.1676 H 1 UNK 0.1494 45 H14 -2.9707 -1.6679 7.7733 H 1 UNK 0.0590 46 H15 -4.1708 -1.6467 9.7769 H 1 UNK 0.0614 47 H16 -4.0676 -5.5789 10.2378 H 1 UNK 0.0812 48 H17 -3.7835 -6.3008 12.5589 H 1 UNK 0.0669 49 H18 -5.2763 -4.4352 15.3444 H 1 UNK 0.1883 50 H19 -6.0034 -1.2541 11.4536 H 1 UNK 0.2953 51 H20 -5.4054 -6.1720 4.4441 H 1 UNK 0.2951 52 H21 -1.3143 -3.6461 2.1488 H 1 UNK 0.1185 53 H22 0.1796 -3.0317 2.5446 H 1 UNK 0.1185 54 H23 0.0163 -2.4687 -2.0422 H 1 UNK 0.3062 55 H24 -0.0338 0.9786 -2.3738 H 1 UNK 0.2547 56 H25 -0.0221 -0.4717 -3.2218 H 1 UNK 0.2547 @BOND 1 1 2 1 2 1 35 1 3 1 36 1 4 1 37 1 5 2 3 1 6 2 32 1 7 3 4 1 8 3 38 1 9 3 39 1 10 4 5 1 11 4 40 1 12 4 41 1 13 5 6 1 14 5 7 1 15 5 31 1 16 7 8 1 17 7 42 1 18 7 43 1 19 8 9 2 20 8 10 am 21 10 11 1 22 10 44 1 23 11 12 1 24 11 26 1 25 11 13 1 26 13 14 2 27 13 45 1 28 14 15 1 29 14 46 1 30 15 16 1 31 15 17 1 32 15 25 1 33 17 23 ar 34 17 18 ar 35 18 19 ar 36 18 47 1 37 19 20 ar 38 19 48 1 39 20 21 2 40 20 22 ar 41 21 49 1 42 22 23 ar 43 23 24 1 44 24 50 1 45 25 26 1 46 26 27 1 47 26 28 1 48 28 29 2 49 28 30 1 50 30 51 1 51 31 52 1 52 31 53 1 53 32 33 2 54 32 34 1 55 33 54 1 56 34 55 1 57 34 56 1