@MOLECULE FDBD02983 42 43 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.0176 1.4478 0.0100 C.3 1 UNK 0.0780 2 O 0.0021 -0.0041 0.0020 O.2 1 UNK -0.5019 3 C1 -1.1896 -0.6319 0.0100 C.2 1 UNK 0.0937 4 C2 -1.2423 -1.9876 0.0032 C.2 1 UNK 0.0382 5 C3 0.0123 -2.7783 -0.0130 C.ar 1 UNK -0.0067 6 C4 0.7787 -2.8984 1.1453 C.ar 1 UNK -0.0535 7 C5 1.9448 -3.6357 1.1245 C.ar 1 UNK -0.0612 8 C6 2.3539 -4.2552 -0.0430 C.ar 1 UNK -0.0614 9 C7 1.5976 -4.1396 -1.1952 C.ar 1 UNK -0.0548 10 C8 0.4266 -3.4089 -1.1847 C.ar 1 UNK -0.0025 11 C9 -0.3968 -3.2843 -2.4407 C.3 1 UNK 0.1168 12 O1 0.2376 -4.0045 -3.4995 O.3 1 UNK -0.4716 13 C10 -0.3793 -3.9934 -4.7079 C.ar 1 UNK 0.2155 14 C11 0.1858 -4.6802 -5.7751 C.ar 1 UNK 0.0000 15 C12 -0.4535 -4.6614 -7.0021 C.ar 1 UNK -0.0548 16 C13 -1.6416 -3.9528 -7.1189 C.ar 1 UNK -0.0314 17 C14 -2.1457 -3.2931 -6.0160 C.ar 1 UNK 0.1473 18 C15 -3.4349 -2.5218 -6.1353 C.3 1 UNK 0.4343 19 F -4.5114 -3.3636 -5.8357 F 1 UNK -0.1644 20 F1 -3.4200 -1.4472 -5.2397 F 1 UNK -0.1644 21 F2 -3.5701 -2.0387 -7.4413 F 1 UNK -0.1644 22 N -1.5156 -3.3335 -4.8572 N.ar 1 UNK -0.2089 23 C16 -2.5394 -2.6710 0.0120 C.2 1 UNK 0.0272 24 O2 -3.5682 -2.0225 0.0253 O.co2 1 UNK -0.8003 25 O3 -2.5917 -4.0186 0.0052 O.2 1 UNK -0.5147 26 C17 -3.9100 -4.6272 0.0145 C.3 1 UNK 0.0766 27 H 0.9862 1.8182 0.0024 H 1 UNK 0.0660 28 H1 -0.5184 1.7929 0.8903 H 1 UNK 0.0660 29 H2 -0.5351 1.8023 -0.8569 H 1 UNK 0.0660 30 H3 -2.0626 -0.0817 0.0213 H 1 UNK 0.1030 31 H4 0.4744 -2.4367 2.0167 H 1 UNK 0.0624 32 H5 2.5129 -3.7252 1.9814 H 1 UNK 0.0618 33 H6 3.2268 -4.8057 -0.0542 H 1 UNK 0.0618 34 H7 1.9093 -4.6005 -2.0643 H 1 UNK 0.0622 35 H8 -0.4806 -2.2525 -2.7114 H 1 UNK 0.0748 36 H9 -1.3726 -3.6884 -2.2691 H 1 UNK 0.0748 37 H10 1.0706 -5.1975 -5.6544 H 1 UNK 0.0671 38 H11 -0.0562 -5.1627 -7.8120 H 1 UNK 0.0620 39 H12 -2.1426 -3.9196 -8.0205 H 1 UNK 0.0638 40 H13 -3.8110 -5.6926 0.0078 H 1 UNK 0.0659 41 H14 -4.4535 -4.3140 -0.8523 H 1 UNK 0.0659 42 H15 -4.4369 -4.3235 0.8949 H 1 UNK 0.0659 @BOND 1 1 2 1 2 2 3 2 3 3 4 0 4 4 5 1 5 4 23 2 6 5 10 ar 7 5 6 ar 8 6 7 ar 9 7 8 ar 10 8 9 ar 11 9 10 ar 12 10 11 1 13 11 12 1 14 12 13 1 15 13 22 ar 16 13 14 ar 17 14 15 ar 18 15 16 ar 19 16 17 ar 20 17 18 1 21 17 22 ar 22 18 19 1 23 18 20 1 24 18 21 1 25 23 24 0 26 23 25 1 27 25 26 1 28 1 27 1 29 1 28 1 30 1 29 1 31 3 30 1 32 6 31 1 33 7 32 1 34 8 33 1 35 9 34 1 36 11 35 1 37 11 36 1 38 14 37 1 39 15 38 1 40 16 39 1 41 26 40 1 42 26 41 1 43 26 42 1