COMPND HMDB0060986 HETATM 1 C1 UNL 1 -1.738 1.724 -3.634 1.00 0.00 C HETATM 2 O1 UNL 1 -1.148 1.152 -2.487 1.00 0.00 O HETATM 3 C2 UNL 1 -1.980 0.783 -1.409 1.00 0.00 C HETATM 4 C3 UNL 1 -3.364 0.988 -1.485 1.00 0.00 C HETATM 5 C4 UNL 1 -4.191 0.641 -0.457 1.00 0.00 C HETATM 6 C5 UNL 1 -5.676 0.787 -0.525 1.00 0.00 C HETATM 7 O2 UNL 1 -6.169 1.787 -0.020 1.00 0.00 O HETATM 8 N1 UNL 1 -6.429 -0.221 -1.154 1.00 0.00 N HETATM 9 S1 UNL 1 -8.097 -0.385 -1.375 1.00 0.00 S HETATM 10 O3 UNL 1 -8.661 0.921 -1.949 1.00 0.00 O HETATM 11 O4 UNL 1 -8.364 -1.396 -2.481 1.00 0.00 O HETATM 12 C6 UNL 1 -8.985 -0.896 0.030 1.00 0.00 C HETATM 13 C7 UNL 1 -9.347 -2.253 0.115 1.00 0.00 C HETATM 14 C8 UNL 1 -9.974 -2.791 1.202 1.00 0.00 C HETATM 15 C9 UNL 1 -10.287 -1.996 2.292 1.00 0.00 C HETATM 16 C10 UNL 1 -9.940 -0.669 2.220 1.00 0.00 C HETATM 17 C11 UNL 1 -9.300 -0.130 1.107 1.00 0.00 C HETATM 18 C12 UNL 1 -9.026 1.323 1.132 1.00 0.00 C HETATM 19 C13 UNL 1 -3.625 0.079 0.675 1.00 0.00 C HETATM 20 C14 UNL 1 -2.281 -0.130 0.771 1.00 0.00 C HETATM 21 C15 UNL 1 -1.426 0.219 -0.279 1.00 0.00 C HETATM 22 C16 UNL 1 0.011 -0.043 -0.209 1.00 0.00 C HETATM 23 C17 UNL 1 0.854 1.125 0.037 1.00 0.00 C HETATM 24 C18 UNL 1 0.474 2.444 0.170 1.00 0.00 C HETATM 25 N2 UNL 1 1.620 3.158 0.391 1.00 0.00 N HETATM 26 C19 UNL 1 1.637 4.589 0.589 1.00 0.00 C HETATM 27 O5 UNL 1 1.841 5.283 -0.591 1.00 0.00 O HETATM 28 C20 UNL 1 2.675 2.320 0.394 1.00 0.00 C HETATM 29 C21 UNL 1 4.039 2.503 0.560 1.00 0.00 C HETATM 30 C22 UNL 1 4.930 1.443 0.507 1.00 0.00 C HETATM 31 C23 UNL 1 4.521 0.151 0.289 1.00 0.00 C HETATM 32 N3 UNL 1 5.376 -0.954 0.196 1.00 0.00 N HETATM 33 C24 UNL 1 6.778 -0.903 0.143 1.00 0.00 C HETATM 34 O6 UNL 1 7.510 0.097 0.169 1.00 0.00 O HETATM 35 O7 UNL 1 7.500 -2.131 0.036 1.00 0.00 O HETATM 36 C25 UNL 1 8.906 -2.130 -0.038 1.00 0.00 C HETATM 37 C26 UNL 1 9.559 -2.948 1.021 1.00 0.00 C HETATM 38 C27 UNL 1 10.939 -3.215 0.458 1.00 0.00 C HETATM 39 C28 UNL 1 10.771 -3.173 -1.055 1.00 0.00 C HETATM 40 C29 UNL 1 9.345 -2.782 -1.331 1.00 0.00 C HETATM 41 C30 UNL 1 3.133 -0.010 0.126 1.00 0.00 C HETATM 42 C31 UNL 1 2.250 1.033 0.177 1.00 0.00 C HETATM 43 H1 UNL 1 -0.967 1.965 -4.379 1.00 0.00 H HETATM 44 H2 UNL 1 -2.410 0.982 -4.068 1.00 0.00 H HETATM 45 H3 UNL 1 -2.320 2.617 -3.306 1.00 0.00 H HETATM 46 H4 UNL 1 -3.782 1.432 -2.382 1.00 0.00 H HETATM 47 H5 UNL 1 -5.831 -1.054 -1.584 1.00 0.00 H HETATM 48 H6 UNL 1 -9.118 -2.891 -0.717 1.00 0.00 H HETATM 49 H7 UNL 1 -10.218 -3.846 1.195 1.00 0.00 H HETATM 50 H8 UNL 1 -10.787 -2.414 3.166 1.00 0.00 H HETATM 51 H9 UNL 1 -10.187 -0.032 3.084 1.00 0.00 H HETATM 52 H10 UNL 1 -8.191 1.589 1.823 1.00 0.00 H HETATM 53 H11 UNL 1 -8.891 1.788 0.145 1.00 0.00 H HETATM 54 H12 UNL 1 -9.918 1.874 1.573 1.00 0.00 H HETATM 55 H13 UNL 1 -4.287 -0.194 1.484 1.00 0.00 H HETATM 56 H14 UNL 1 -1.785 -0.566 1.629 1.00 0.00 H HETATM 57 H15 UNL 1 0.281 -0.821 0.573 1.00 0.00 H HETATM 58 H16 UNL 1 0.390 -0.524 -1.160 1.00 0.00 H HETATM 59 H17 UNL 1 -0.514 2.880 0.122 1.00 0.00 H HETATM 60 H18 UNL 1 0.614 4.918 0.951 1.00 0.00 H HETATM 61 H19 UNL 1 2.347 4.914 1.339 1.00 0.00 H HETATM 62 H20 UNL 1 1.362 6.155 -0.552 1.00 0.00 H HETATM 63 H21 UNL 1 4.384 3.525 0.734 1.00 0.00 H HETATM 64 H22 UNL 1 5.980 1.669 0.647 1.00 0.00 H HETATM 65 H23 UNL 1 4.926 -1.906 0.167 1.00 0.00 H HETATM 66 H24 UNL 1 9.270 -1.077 0.003 1.00 0.00 H HETATM 67 H25 UNL 1 9.032 -3.914 1.163 1.00 0.00 H HETATM 68 H26 UNL 1 9.732 -2.397 1.983 1.00 0.00 H HETATM 69 H27 UNL 1 11.680 -2.442 0.740 1.00 0.00 H HETATM 70 H28 UNL 1 11.296 -4.242 0.749 1.00 0.00 H HETATM 71 H29 UNL 1 11.024 -4.158 -1.522 1.00 0.00 H HETATM 72 H30 UNL 1 11.433 -2.430 -1.536 1.00 0.00 H HETATM 73 H31 UNL 1 8.778 -3.721 -1.515 1.00 0.00 H HETATM 74 H32 UNL 1 9.247 -2.060 -2.183 1.00 0.00 H HETATM 75 H33 UNL 1 2.769 -1.009 -0.042 1.00 0.00 H CONECT 1 2 43 44 45 CONECT 2 3 CONECT 3 4 4 21 CONECT 4 5 46 CONECT 5 6 19 19 CONECT 6 7 7 8 CONECT 8 9 47 CONECT 9 10 10 11 11 CONECT 9 12 CONECT 12 13 13 17 CONECT 13 14 48 CONECT 14 15 15 49 CONECT 15 16 50 CONECT 16 17 17 51 CONECT 17 18 CONECT 18 52 53 54 CONECT 19 20 55 CONECT 20 21 21 56 CONECT 21 22 CONECT 22 23 57 58 CONECT 23 24 24 42 CONECT 24 25 59 CONECT 25 26 28 CONECT 26 27 60 61 CONECT 27 62 CONECT 28 29 29 42 CONECT 29 30 63 CONECT 30 31 31 64 CONECT 31 32 41 CONECT 32 33 65 CONECT 33 34 34 35 CONECT 35 36 CONECT 36 37 40 66 CONECT 37 38 67 68 CONECT 38 39 69 70 CONECT 39 40 71 72 CONECT 40 73 74 CONECT 41 42 42 75 END