@MOLECULE FDBD01989 56 55 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.0547 1.4537 0.0845 C.3 1 UNK -0.0280 2 C1 0.0345 -0.0761 0.1018 C.3 1 UNK 0.0978 3 C2 0.7053 -0.5806 1.3810 C.3 1 UNK -0.0280 4 O -1.3181 -0.5350 0.0604 O.3 1 UNK -0.4588 5 C3 -1.5434 -1.7248 -0.5350 C.2 1 UNK 0.3324 6 O1 -0.6153 -2.3546 -1.0059 O.2 1 UNK -0.2456 7 C4 -2.8617 -2.2409 -0.6116 C.2 1 UNK 0.0254 8 C5 -3.1059 -3.3713 -1.3136 C.2 1 UNK -0.0440 9 C6 -2.0142 -3.9912 -2.1473 C.3 1 UNK -0.0395 10 C7 -4.4297 -3.9920 -1.2634 C.2 1 UNK -0.0625 11 C8 -4.6705 -5.1070 -1.9558 C.2 1 UNK -0.0835 12 C9 -6.0342 -5.7464 -1.9042 C.3 1 UNK -0.0319 13 C10 -6.5753 -5.9093 -3.3260 C.3 1 UNK -0.0404 14 C11 -5.6950 -6.8951 -4.0968 C.3 1 UNK -0.0621 15 C12 -8.0083 -6.4424 -3.2683 C.3 1 UNK -0.0501 16 C13 -8.5928 -6.4876 -4.6815 C.3 1 UNK -0.0502 17 C14 -10.0258 -7.0207 -4.6239 C.3 1 UNK -0.0243 18 C15 -10.6104 -7.0658 -6.0371 C.3 1 UNK 0.0636 19 C16 -12.0817 -7.4797 -5.9674 C.3 1 UNK -0.0361 20 C17 -10.4998 -5.6815 -6.6792 C.3 1 UNK -0.0361 21 O2 -9.8854 -8.0144 -6.8224 O.3 1 UNK -0.3771 22 C18 -10.3538 -8.1347 -8.1671 C.3 1 UNK 0.0371 23 H 1.0675 1.7974 0.1155 H 1 UNK 0.0265 24 H1 -0.4749 1.8270 0.9360 H 1 UNK 0.0265 25 H2 -0.4144 1.8065 -0.8101 H 1 UNK 0.0265 26 H3 0.5641 -0.4495 -0.7497 H 1 UNK 0.0728 27 H4 0.1758 -0.2072 2.2325 H 1 UNK 0.0265 28 H5 1.7181 -0.2369 1.4120 H 1 UNK 0.0265 29 H6 0.6911 -1.6504 1.3931 H 1 UNK 0.0265 30 H7 -3.6350 -1.7543 -0.1318 H 1 UNK 0.0691 31 H8 -1.1237 -3.4041 -2.0624 H 1 UNK 0.0278 32 H9 -2.3229 -4.0249 -3.1712 H 1 UNK 0.0278 33 H10 -1.8209 -4.9847 -1.8002 H 1 UNK 0.0278 34 H11 -5.1773 -3.5675 -0.6925 H 1 UNK 0.0617 35 H12 -3.9229 -5.5315 -2.5266 H 1 UNK 0.0572 36 H13 -6.6979 -5.1260 -1.3389 H 1 UNK 0.0310 37 H14 -5.9604 -6.7069 -1.4385 H 1 UNK 0.0310 38 H15 -6.5672 -4.9610 -3.8216 H 1 UNK 0.0301 39 H16 -5.7031 -7.8434 -3.6012 H 1 UNK 0.0233 40 H17 -4.6929 -6.5222 -4.1371 H 1 UNK 0.0233 41 H18 -6.0734 -7.0091 -5.0911 H 1 UNK 0.0233 42 H19 -8.6042 -5.7980 -2.6563 H 1 UNK 0.0268 43 H20 -8.0057 -7.4279 -2.8516 H 1 UNK 0.0268 44 H21 -7.9969 -7.1320 -5.2935 H 1 UNK 0.0266 45 H22 -8.5954 -5.5020 -5.0981 H 1 UNK 0.0266 46 H23 -10.6217 -6.3764 -4.0118 H 1 UNK 0.0293 47 H24 -10.0232 -8.0063 -4.2074 H 1 UNK 0.0293 48 H25 -12.6245 -6.7694 -5.3794 H 1 UNK 0.0257 49 H26 -12.1590 -8.4478 -5.5183 H 1 UNK 0.0257 50 H27 -12.4905 -7.5113 -6.9557 H 1 UNK 0.0257 51 H28 -11.0426 -4.9712 -6.0912 H 1 UNK 0.0257 52 H29 -10.9086 -5.7131 -7.6675 H 1 UNK 0.0257 53 H30 -9.4708 -5.3921 -6.7279 H 1 UNK 0.0257 54 H31 -9.7633 -8.8599 -8.6869 H 1 UNK 0.0524 55 H32 -10.2713 -7.1883 -8.6595 H 1 UNK 0.0524 56 H33 -11.3775 -8.4459 -8.1617 H 1 UNK 0.0524 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 4 5 1 5 5 6 2 6 5 7 1 7 7 8 2 8 8 9 1 9 8 10 1 10 10 11 2 11 11 12 1 12 12 13 1 13 13 14 1 14 13 15 1 15 15 16 1 16 16 17 1 17 17 18 1 18 18 19 1 19 18 20 1 20 18 21 1 21 21 22 1 22 1 23 1 23 1 24 1 24 1 25 1 25 2 26 1 26 3 27 1 27 3 28 1 28 3 29 1 29 7 30 1 30 9 31 1 31 9 32 1 32 9 33 1 33 10 34 1 34 11 35 1 35 12 36 1 36 12 37 1 37 13 38 1 38 14 39 1 39 14 40 1 40 14 41 1 41 15 42 1 42 15 43 1 43 16 44 1 44 16 45 1 45 17 46 1 46 17 47 1 47 19 48 1 48 19 49 1 49 19 50 1 50 20 51 1 51 20 52 1 52 20 53 1 53 22 54 1 54 22 55 1 55 22 56 1