@MOLECULE FDBD03163 55 56 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.1571 1.5117 -0.1240 C.3 1 UNK -0.0610 2 C1 0.0300 -0.0095 -0.0199 C.3 1 UNK -0.0271 3 C2 0.5553 -0.6542 -1.3042 C.3 1 UNK -0.0239 4 C3 -0.3254 -0.2588 -2.4614 C.ar 1 UNK -0.0470 5 C4 -1.4231 -1.0320 -2.7902 C.ar 1 UNK -0.0583 6 C5 -2.2309 -0.6693 -3.8517 C.ar 1 UNK -0.0578 7 C6 -1.9413 0.4668 -4.5840 C.ar 1 UNK -0.0420 8 C7 -0.8442 1.2404 -4.2546 C.ar 1 UNK -0.0578 9 C8 -0.0388 0.8801 -3.1904 C.ar 1 UNK -0.0583 10 C9 -2.8215 0.8616 -5.7418 C.3 1 UNK -0.0127 11 C10 -4.2476 1.0984 -5.2408 C.3 1 UNK -0.0560 12 C11 -2.2840 2.1460 -6.3762 C.3 1 UNK -0.0560 13 C12 -2.8264 -0.2586 -6.7839 C.3 1 UNK -0.0560 14 C13 0.8475 -0.5091 1.1729 C.3 1 UNK 0.0019 15 N 0.6756 -1.9615 1.3105 N.3 1 UNK -0.2972 16 C14 -0.7491 -2.3212 1.3578 C.3 1 UNK 0.0250 17 C15 -0.8828 -3.8441 1.4410 C.3 1 UNK 0.0689 18 H -0.4696 -4.2956 0.5390 H 1 UNK 0.0606 19 C16 -2.3601 -4.2209 1.5702 C.3 1 UNK -0.0375 20 O -0.1663 -4.3188 2.5840 O.3 1 UNK -0.3714 21 C17 1.2247 -3.9866 2.5703 C.3 1 UNK 0.0689 22 H1 1.6992 -4.4422 1.7012 H 1 UNK 0.0606 23 C18 1.8873 -4.5090 3.8467 C.3 1 UNK -0.0375 24 C19 1.3798 -2.4652 2.4986 C.3 1 UNK 0.0250 25 H2 1.2106 1.7849 -0.1855 H 1 UNK 0.0233 26 H3 -0.3611 1.8593 -1.0178 H 1 UNK 0.0233 27 H4 -0.2875 1.9746 0.7569 H 1 UNK 0.0233 28 H5 -1.0172 -0.2778 0.1194 H 1 UNK 0.0314 29 H6 1.5742 -0.3150 -1.4906 H 1 UNK 0.0316 30 H7 0.5475 -1.7388 -1.1957 H 1 UNK 0.0316 31 H8 -1.6494 -1.9196 -2.2181 H 1 UNK 0.0620 32 H9 -3.0881 -1.2738 -4.1091 H 1 UNK 0.0621 33 H10 -0.6177 2.1279 -4.8270 H 1 UNK 0.0621 34 H11 0.8184 1.4845 -2.9331 H 1 UNK 0.0620 35 H12 -4.2441 1.8964 -4.4984 H 1 UNK 0.0238 36 H13 -4.8842 1.3839 -6.0783 H 1 UNK 0.0238 37 H14 -4.6305 0.1834 -4.7889 H 1 UNK 0.0238 38 H15 -1.2680 1.9773 -6.7332 H 1 UNK 0.0238 39 H16 -2.9206 2.4316 -7.2137 H 1 UNK 0.0238 40 H17 -2.2805 2.9440 -5.6338 H 1 UNK 0.0238 41 H18 -3.2093 -1.1736 -6.3320 H 1 UNK 0.0238 42 H19 -3.4629 0.0270 -7.6214 H 1 UNK 0.0238 43 H20 -1.8104 -0.4273 -7.1409 H 1 UNK 0.0238 44 H21 1.9013 -0.2816 1.0120 H 1 UNK 0.0429 45 H22 0.5038 -0.0149 2.0816 H 1 UNK 0.0429 46 H23 -1.2102 -1.8669 2.2347 H 1 UNK 0.0452 47 H24 -1.2455 -1.9609 0.4568 H 1 UNK 0.0452 48 H25 -2.9057 -3.8555 0.7002 H 1 UNK 0.0255 49 H26 -2.4546 -5.3052 1.6293 H 1 UNK 0.0255 50 H27 -2.7723 -3.7704 2.4731 H 1 UNK 0.0255 51 H28 1.7731 -5.5918 3.8983 H 1 UNK 0.0255 52 H29 2.9473 -4.2555 3.8357 H 1 UNK 0.0255 53 H30 1.4134 -4.0519 4.7153 H 1 UNK 0.0255 54 H31 2.4373 -2.2100 2.4304 H 1 UNK 0.0452 55 H32 0.9527 -2.0132 3.3938 H 1 UNK 0.0452 @BOND 1 1 2 1 2 1 25 1 3 1 26 1 4 1 27 1 5 2 3 1 6 2 14 1 7 2 28 1 8 3 4 1 9 3 29 1 10 3 30 1 11 4 9 ar 12 4 5 ar 13 5 6 ar 14 5 31 1 15 6 7 ar 16 6 32 1 17 7 8 ar 18 7 10 1 19 8 9 ar 20 8 33 1 21 9 34 1 22 10 11 1 23 10 12 1 24 10 13 1 25 11 35 1 26 11 36 1 27 11 37 1 28 12 38 1 29 12 39 1 30 12 40 1 31 13 41 1 32 13 42 1 33 13 43 1 34 14 15 1 35 14 44 1 36 14 45 1 37 15 24 1 38 15 16 1 39 16 17 1 40 16 46 1 41 16 47 1 42 17 18 1 43 17 19 1 44 17 20 1 45 19 48 1 46 19 49 1 47 19 50 1 48 20 21 1 49 21 22 1 50 21 23 1 51 21 24 1 52 23 51 1 53 23 52 1 54 23 53 1 55 24 54 1 56 24 55 1