COMPND HMDB0033390 HETATM 1 C1 UNL 1 6.440 -2.015 -0.543 1.00 0.00 C HETATM 2 N1 UNL 1 5.668 -1.431 0.521 1.00 0.00 N HETATM 3 C2 UNL 1 6.283 -1.280 1.843 1.00 0.00 C HETATM 4 C3 UNL 1 4.322 -1.005 0.288 1.00 0.00 C HETATM 5 C4 UNL 1 4.044 0.288 -0.111 1.00 0.00 C HETATM 6 C5 UNL 1 2.744 0.721 -0.342 1.00 0.00 C HETATM 7 C6 UNL 1 1.679 -0.131 -0.180 1.00 0.00 C HETATM 8 C7 UNL 1 0.301 0.292 -0.381 1.00 0.00 C HETATM 9 C8 UNL 1 -0.255 1.372 0.147 1.00 0.00 C HETATM 10 C9 UNL 1 0.468 2.284 1.029 1.00 0.00 C HETATM 11 C10 UNL 1 -0.118 3.368 1.463 1.00 0.00 C HETATM 12 C11 UNL 1 -1.476 3.690 1.091 1.00 0.00 C HETATM 13 N2 UNL 1 -2.024 4.764 1.541 1.00 0.00 N1+ HETATM 14 C12 UNL 1 -1.287 5.647 2.417 1.00 0.00 C HETATM 15 C13 UNL 1 -3.378 5.121 1.188 1.00 0.00 C HETATM 16 C14 UNL 1 -2.205 2.769 0.202 1.00 0.00 C HETATM 17 C15 UNL 1 -1.643 1.671 -0.252 1.00 0.00 C HETATM 18 C16 UNL 1 -0.518 -0.628 -1.178 1.00 0.00 C HETATM 19 C17 UNL 1 -0.264 -0.807 -2.540 1.00 0.00 C HETATM 20 O1 UNL 1 0.746 -0.093 -3.126 1.00 0.00 O HETATM 21 C18 UNL 1 -1.044 -1.699 -3.245 1.00 0.00 C HETATM 22 S1 UNL 1 -0.738 -1.930 -4.949 1.00 0.00 S HETATM 23 O2 UNL 1 0.668 -2.389 -5.202 1.00 0.00 O HETATM 24 O3 UNL 1 -1.015 -0.629 -5.689 1.00 0.00 O HETATM 25 O4 UNL 1 -1.817 -3.050 -5.536 1.00 0.00 O1- HETATM 26 C19 UNL 1 -2.050 -2.395 -2.613 1.00 0.00 C HETATM 27 C20 UNL 1 -2.316 -2.230 -1.256 1.00 0.00 C HETATM 28 C21 UNL 1 -3.311 -2.950 -0.632 1.00 0.00 C HETATM 29 C22 UNL 1 -3.550 -2.795 0.726 1.00 0.00 C HETATM 30 S2 UNL 1 -4.805 -3.693 1.564 1.00 0.00 S HETATM 31 O5 UNL 1 -4.398 -3.807 3.021 1.00 0.00 O HETATM 32 O6 UNL 1 -4.962 -5.073 1.009 1.00 0.00 O HETATM 33 O7 UNL 1 -6.267 -2.848 1.538 1.00 0.00 O HETATM 34 C23 UNL 1 -2.783 -1.913 1.449 1.00 0.00 C HETATM 35 C24 UNL 1 -1.791 -1.205 0.789 1.00 0.00 C HETATM 36 C25 UNL 1 -1.520 -1.324 -0.548 1.00 0.00 C HETATM 37 C26 UNL 1 1.963 -1.449 0.226 1.00 0.00 C HETATM 38 C27 UNL 1 3.253 -1.873 0.454 1.00 0.00 C HETATM 39 H1 UNL 1 6.749 -1.213 -1.242 1.00 0.00 H HETATM 40 H2 UNL 1 5.834 -2.787 -1.104 1.00 0.00 H HETATM 41 H3 UNL 1 7.317 -2.545 -0.164 1.00 0.00 H HETATM 42 H4 UNL 1 7.153 -0.607 1.732 1.00 0.00 H HETATM 43 H5 UNL 1 6.654 -2.241 2.237 1.00 0.00 H HETATM 44 H6 UNL 1 5.578 -0.820 2.554 1.00 0.00 H HETATM 45 H7 UNL 1 4.873 0.972 -0.242 1.00 0.00 H HETATM 46 H8 UNL 1 2.575 1.730 -0.672 1.00 0.00 H HETATM 47 H9 UNL 1 1.505 2.038 1.335 1.00 0.00 H HETATM 48 H10 UNL 1 0.452 4.020 2.115 1.00 0.00 H HETATM 49 H11 UNL 1 -1.104 5.147 3.400 1.00 0.00 H HETATM 50 H12 UNL 1 -0.302 5.937 2.003 1.00 0.00 H HETATM 51 H13 UNL 1 -1.852 6.569 2.629 1.00 0.00 H HETATM 52 H14 UNL 1 -3.506 5.147 0.086 1.00 0.00 H HETATM 53 H15 UNL 1 -4.096 4.378 1.593 1.00 0.00 H HETATM 54 H16 UNL 1 -3.628 6.137 1.545 1.00 0.00 H HETATM 55 H17 UNL 1 -3.226 3.052 -0.052 1.00 0.00 H HETATM 56 H18 UNL 1 -2.222 1.030 -0.914 1.00 0.00 H HETATM 57 H19 UNL 1 1.028 -0.126 -4.074 1.00 0.00 H HETATM 58 H20 UNL 1 -2.679 -3.106 -3.160 1.00 0.00 H HETATM 59 H21 UNL 1 -3.925 -3.651 -1.191 1.00 0.00 H HETATM 60 H22 UNL 1 -6.759 -3.068 2.375 1.00 0.00 H HETATM 61 H23 UNL 1 -2.933 -1.761 2.509 1.00 0.00 H HETATM 62 H24 UNL 1 -1.198 -0.539 1.389 1.00 0.00 H HETATM 63 H25 UNL 1 1.169 -2.155 0.367 1.00 0.00 H HETATM 64 H26 UNL 1 3.497 -2.881 0.767 1.00 0.00 H CONECT 1 2 39 40 41 CONECT 2 3 4 CONECT 3 42 43 44 CONECT 4 5 5 38 CONECT 5 6 45 CONECT 6 7 7 46 CONECT 7 8 37 CONECT 8 9 9 18 CONECT 9 10 17 CONECT 10 11 11 47 CONECT 11 12 48 CONECT 12 13 13 16 CONECT 13 14 15 CONECT 14 49 50 51 CONECT 15 52 53 54 CONECT 16 17 17 55 CONECT 17 56 CONECT 18 19 19 36 CONECT 19 20 21 CONECT 20 57 CONECT 21 22 26 26 CONECT 22 23 23 24 24 CONECT 22 25 CONECT 26 27 58 CONECT 27 28 28 36 CONECT 28 29 59 CONECT 29 30 34 34 CONECT 30 31 31 32 32 CONECT 30 33 CONECT 33 60 CONECT 34 35 61 CONECT 35 36 36 62 CONECT 37 38 38 63 CONECT 38 64 END