@MOLECULE FDBD00469 62 64 0 0 0 SMALL GASTEIGER @ATOM 1 Cl 8.2211 1.8052 -0.2837 Cl 1 UNK -0.0816 2 F -8.7926 2.3387 0.1511 F 1 UNK -0.2055 3 O 0.2802 1.4406 -1.7692 O.3 1 UNK -0.3727 4 O1 -5.2548 -1.8367 -0.3960 O.3 1 UNK -0.4918 5 O2 3.2442 2.1773 1.5445 O.2 1 UNK -0.2701 6 O3 3.4164 -1.5602 0.1160 O.3 1 UNK -0.4943 7 N -1.2069 -1.0564 0.5325 N.4 1 UNK 0.2372 8 N1 2.0424 0.6452 0.2858 N.am 1 UNK -0.3055 9 N2 8.0804 -1.1676 -0.9184 N.pl3 1 UNK -0.3567 10 C 0.7287 1.1589 0.6075 C.3 1 UNK 0.0594 11 C1 -0.2602 0.9530 -0.5459 C.3 1 UNK 0.1163 12 C2 0.1798 0.5059 1.8783 C.3 1 UNK 0.0085 13 C3 -0.6459 -0.5194 -0.7135 C.3 1 UNK -0.0032 14 C4 -0.2518 -0.9476 1.6439 C.3 1 UNK -0.0300 15 C5 -1.6257 -2.4458 0.3498 C.3 1 UNK -0.0287 16 C6 -2.9545 -2.5044 -0.3966 C.3 1 UNK 0.0217 17 C7 3.2025 1.2086 0.7906 C.2 1 UNK 0.2479 18 C8 -4.0501 -1.7590 0.3534 C.3 1 UNK 0.0944 19 C9 0.2298 2.8587 -1.8308 C.3 1 UNK 0.0371 20 C10 4.4731 0.5813 0.3441 C.ar 1 UNK 0.0797 21 C11 4.5270 -0.7757 0.0251 C.ar 1 UNK 0.1340 22 C12 5.6214 1.3672 0.2455 C.ar 1 UNK -0.0259 23 C13 -6.1361 -0.7958 -0.2601 C.ar 1 UNK 0.1207 24 C14 5.7292 -1.3467 -0.3925 C.ar 1 UNK 0.0029 25 C15 6.8234 0.7961 -0.1726 C.ar 1 UNK 0.0625 26 C16 6.8774 -0.5609 -0.4915 C.ar 1 UNK 0.0466 27 C17 -6.1979 -0.0870 0.9399 C.ar 1 UNK -0.0172 28 C18 -6.9717 -0.4459 -1.3210 C.ar 1 UNK -0.0172 29 C19 3.5649 -2.9356 -0.2300 C.3 1 UNK 0.0788 30 C20 -7.0949 0.9723 1.0785 C.ar 1 UNK -0.0230 31 C21 -7.8687 0.6132 -1.1821 C.ar 1 UNK -0.0230 32 C22 -7.9303 1.3224 0.0175 C.ar 1 UNK 0.1236 33 H -2.0254 -0.4964 0.7709 H 1 UNK 0.2034 34 H1 2.1142 -0.1327 -0.3134 H 1 UNK 0.1494 35 H2 8.0967 -2.1270 -1.1386 H 1 UNK 0.1424 36 H3 8.9021 -0.6308 -0.9956 H 1 UNK 0.1424 37 H4 0.8384 2.2103 0.7732 H 1 UNK 0.0528 38 H5 -1.1421 1.5062 -0.2988 H 1 UNK 0.0668 39 H6 -0.6669 1.0665 2.2155 H 1 UNK 0.0336 40 H7 0.9612 0.5024 2.6093 H 1 UNK 0.0336 41 H8 -1.3751 -0.6046 -1.4919 H 1 UNK 0.0841 42 H9 0.2321 -1.0777 -0.9630 H 1 UNK 0.0841 43 H10 0.6136 -1.5343 1.4166 H 1 UNK 0.0815 44 H11 -0.7312 -1.3015 2.5326 H 1 UNK 0.0815 45 H12 -1.7381 -2.9094 1.3076 H 1 UNK 0.0815 46 H13 -0.8824 -2.9611 -0.2219 H 1 UNK 0.0815 47 H14 -3.2450 -3.5280 -0.5092 H 1 UNK 0.0350 48 H15 -2.8241 -2.0379 -1.3507 H 1 UNK 0.0350 49 H16 -4.1955 -2.2059 1.3147 H 1 UNK 0.0698 50 H17 -3.7688 -0.7348 0.4829 H 1 UNK 0.0698 51 H18 0.6427 3.1902 -2.7606 H 1 UNK 0.0524 52 H19 0.7959 3.2712 -1.0219 H 1 UNK 0.0524 53 H20 -0.7871 3.1830 -1.7563 H 1 UNK 0.0524 54 H21 5.5816 2.3710 0.4818 H 1 UNK 0.0641 55 H22 5.7691 -2.3506 -0.6282 H 1 UNK 0.0673 56 H23 -5.5802 -0.3463 1.7249 H 1 UNK 0.0655 57 H24 -6.9262 -0.9706 -2.2085 H 1 UNK 0.0655 58 H25 2.6257 -3.4354 -0.1162 H 1 UNK 0.0660 59 H26 4.2903 -3.3888 0.4129 H 1 UNK 0.0660 60 H27 3.8902 -3.0146 -1.2463 H 1 UNK 0.0660 61 H28 -7.1405 1.4970 1.9660 H 1 UNK 0.0647 62 H29 -8.4868 0.8721 -1.9669 H 1 UNK 0.0647 @BOND 1 1 25 1 2 2 32 1 3 3 11 1 4 3 19 1 5 4 18 1 6 4 23 1 7 5 17 2 8 6 21 1 9 6 29 1 10 7 13 1 11 7 14 1 12 7 15 1 13 8 10 1 14 8 17 am 15 9 26 1 16 10 11 1 17 10 12 1 18 11 13 1 19 12 14 1 20 15 16 1 21 16 18 1 22 17 20 1 23 20 21 ar 24 20 22 ar 25 21 24 ar 26 22 25 ar 27 23 27 ar 28 23 28 ar 29 24 26 ar 30 25 26 ar 31 27 30 ar 32 28 31 ar 33 30 32 ar 34 31 32 ar 35 7 33 1 36 8 34 1 37 9 35 1 38 9 36 1 39 10 37 1 40 11 38 1 41 12 39 1 42 12 40 1 43 13 41 1 44 13 42 1 45 14 43 1 46 14 44 1 47 15 45 1 48 15 46 1 49 16 47 1 50 16 48 1 51 18 49 1 52 18 50 1 53 19 51 1 54 19 52 1 55 19 53 1 56 22 54 1 57 24 55 1 58 27 56 1 59 28 57 1 60 29 58 1 61 29 59 1 62 29 60 1 63 30 61 1 64 31 62 1