COMPND HMDB0255141 HETATM 1 C1 UNL 1 5.747 -4.647 -0.223 1.00 0.00 C HETATM 2 O1 UNL 1 4.939 -3.494 -0.115 1.00 0.00 O HETATM 3 C2 UNL 1 5.473 -2.364 0.474 1.00 0.00 C HETATM 4 C3 UNL 1 6.770 -2.341 0.954 1.00 0.00 C HETATM 5 C4 UNL 1 7.272 -1.211 1.530 1.00 0.00 C HETATM 6 C5 UNL 1 6.461 -0.064 1.635 1.00 0.00 C HETATM 7 O2 UNL 1 7.040 1.008 2.220 1.00 0.00 O HETATM 8 C6 UNL 1 5.167 -0.087 1.156 1.00 0.00 C HETATM 9 C7 UNL 1 4.678 -1.238 0.577 1.00 0.00 C HETATM 10 C8 UNL 1 3.298 -1.227 0.078 1.00 0.00 C HETATM 11 O3 UNL 1 2.871 -2.288 -0.448 1.00 0.00 O HETATM 12 C9 UNL 1 2.420 -0.067 0.161 1.00 0.00 C HETATM 13 C10 UNL 1 1.124 -0.140 -0.337 1.00 0.00 C HETATM 14 O4 UNL 1 0.582 -1.233 -0.917 1.00 0.00 O HETATM 15 C11 UNL 1 0.318 0.982 -0.240 1.00 0.00 C HETATM 16 C12 UNL 1 0.792 2.114 0.326 1.00 0.00 C HETATM 17 C13 UNL 1 2.090 2.203 0.831 1.00 0.00 C HETATM 18 O5 UNL 1 2.527 3.364 1.394 1.00 0.00 O HETATM 19 C14 UNL 1 2.925 1.092 0.749 1.00 0.00 C HETATM 20 C15 UNL 1 4.292 1.087 1.246 1.00 0.00 C HETATM 21 O6 UNL 1 4.750 2.111 1.770 1.00 0.00 O HETATM 22 C16 UNL 1 -0.096 3.288 0.386 1.00 0.00 C HETATM 23 C17 UNL 1 -0.909 3.466 -0.865 1.00 0.00 C HETATM 24 O7 UNL 1 -0.252 4.373 -1.693 1.00 0.00 O HETATM 25 C18 UNL 1 -2.224 4.109 -0.450 1.00 0.00 C HETATM 26 C19 UNL 1 -3.108 4.385 -1.632 1.00 0.00 C HETATM 27 O8 UNL 1 -2.012 5.299 0.233 1.00 0.00 O HETATM 28 C20 UNL 1 -1.140 2.208 -1.662 1.00 0.00 C HETATM 29 C21 UNL 1 -1.097 1.021 -0.735 1.00 0.00 C HETATM 30 O9 UNL 1 -1.465 -0.169 -1.205 1.00 0.00 O HETATM 31 C22 UNL 1 -2.609 -0.725 -0.639 1.00 0.00 C HETATM 32 C23 UNL 1 -2.365 -2.118 -0.111 1.00 0.00 C HETATM 33 C24 UNL 1 -3.641 -2.600 0.594 1.00 0.00 C HETATM 34 N1 UNL 1 -3.702 -2.026 1.920 1.00 0.00 N HETATM 35 C25 UNL 1 -3.809 -2.841 3.079 1.00 0.00 C HETATM 36 O10 UNL 1 -3.855 -4.094 3.026 1.00 0.00 O HETATM 37 C26 UNL 1 -4.857 -2.058 -0.161 1.00 0.00 C HETATM 38 O11 UNL 1 -5.246 -0.817 0.361 1.00 0.00 O HETATM 39 C27 UNL 1 -4.430 -1.837 -1.581 1.00 0.00 C HETATM 40 C28 UNL 1 -5.629 -1.657 -2.482 1.00 0.00 C HETATM 41 O12 UNL 1 -3.514 -0.833 -1.693 1.00 0.00 O HETATM 42 H1 UNL 1 6.267 -4.899 0.731 1.00 0.00 H HETATM 43 H2 UNL 1 5.141 -5.555 -0.478 1.00 0.00 H HETATM 44 H3 UNL 1 6.537 -4.496 -1.008 1.00 0.00 H HETATM 45 H4 UNL 1 7.418 -3.220 0.882 1.00 0.00 H HETATM 46 H5 UNL 1 8.285 -1.222 1.895 1.00 0.00 H HETATM 47 H6 UNL 1 6.749 1.900 2.425 1.00 0.00 H HETATM 48 H7 UNL 1 0.812 -2.131 -1.147 1.00 0.00 H HETATM 49 H8 UNL 1 3.341 3.644 1.789 1.00 0.00 H HETATM 50 H9 UNL 1 -0.756 3.236 1.280 1.00 0.00 H HETATM 51 H10 UNL 1 0.536 4.188 0.525 1.00 0.00 H HETATM 52 H11 UNL 1 -0.385 4.132 -2.659 1.00 0.00 H HETATM 53 H12 UNL 1 -2.782 3.436 0.242 1.00 0.00 H HETATM 54 H13 UNL 1 -2.422 4.505 -2.518 1.00 0.00 H HETATM 55 H14 UNL 1 -3.682 5.295 -1.441 1.00 0.00 H HETATM 56 H15 UNL 1 -3.758 3.510 -1.862 1.00 0.00 H HETATM 57 H16 UNL 1 -1.103 5.410 0.570 1.00 0.00 H HETATM 58 H17 UNL 1 -0.420 2.081 -2.496 1.00 0.00 H HETATM 59 H18 UNL 1 -2.149 2.280 -2.118 1.00 0.00 H HETATM 60 H19 UNL 1 -1.813 1.300 0.099 1.00 0.00 H HETATM 61 H20 UNL 1 -3.045 -0.066 0.142 1.00 0.00 H HETATM 62 H21 UNL 1 -2.122 -2.780 -0.961 1.00 0.00 H HETATM 63 H22 UNL 1 -1.538 -2.178 0.611 1.00 0.00 H HETATM 64 H23 UNL 1 -3.681 -3.693 0.573 1.00 0.00 H HETATM 65 H24 UNL 1 -3.665 -0.993 1.984 1.00 0.00 H HETATM 66 H25 UNL 1 -3.853 -2.386 4.053 1.00 0.00 H HETATM 67 H26 UNL 1 -5.647 -2.803 -0.100 1.00 0.00 H HETATM 68 H27 UNL 1 -6.210 -0.721 0.112 1.00 0.00 H HETATM 69 H28 UNL 1 -3.930 -2.791 -1.915 1.00 0.00 H HETATM 70 H29 UNL 1 -6.072 -0.658 -2.288 1.00 0.00 H HETATM 71 H30 UNL 1 -6.328 -2.490 -2.276 1.00 0.00 H HETATM 72 H31 UNL 1 -5.303 -1.770 -3.538 1.00 0.00 H CONECT 1 2 42 43 44 CONECT 2 3 CONECT 3 4 4 9 CONECT 4 5 45 CONECT 5 6 6 46 CONECT 6 7 8 CONECT 7 47 CONECT 8 9 9 20 CONECT 9 10 CONECT 10 11 11 12 CONECT 12 13 13 19 CONECT 13 14 15 CONECT 14 48 CONECT 15 16 16 29 CONECT 16 17 22 CONECT 17 18 19 19 CONECT 18 49 CONECT 19 20 CONECT 20 21 21 CONECT 22 23 50 51 CONECT 23 24 25 28 CONECT 24 52 CONECT 25 26 27 53 CONECT 26 54 55 56 CONECT 27 57 CONECT 28 29 58 59 CONECT 29 30 60 CONECT 30 31 CONECT 31 32 41 61 CONECT 32 33 62 63 CONECT 33 34 37 64 CONECT 34 35 65 CONECT 35 36 36 66 CONECT 37 38 39 67 CONECT 38 68 CONECT 39 40 41 69 CONECT 40 70 71 72 END