COMPND HMDB0015000 HETATM 1 C1 UNL 1 -5.179 3.491 2.774 1.00 0.00 C HETATM 2 C2 UNL 1 -3.787 2.957 2.848 1.00 0.00 C HETATM 3 C3 UNL 1 -3.726 1.528 3.316 1.00 0.00 C HETATM 4 C4 UNL 1 -4.478 0.628 2.400 1.00 0.00 C HETATM 5 N1 UNL 1 -5.789 0.292 2.496 1.00 0.00 N HETATM 6 C5 UNL 1 -6.045 -0.523 1.485 1.00 0.00 C HETATM 7 C6 UNL 1 -7.380 -1.137 1.208 1.00 0.00 C HETATM 8 C7 UNL 1 -4.893 -0.693 0.761 1.00 0.00 C HETATM 9 C8 UNL 1 -4.563 -1.414 -0.372 1.00 0.00 C HETATM 10 O1 UNL 1 -5.503 -2.079 -0.886 1.00 0.00 O HETATM 11 N2 UNL 1 -3.324 -1.398 -0.876 1.00 0.00 N HETATM 12 C9 UNL 1 -2.351 -0.667 -0.285 1.00 0.00 C HETATM 13 C10 UNL 1 -0.992 -0.654 -0.845 1.00 0.00 C HETATM 14 C11 UNL 1 0.063 0.048 -0.329 1.00 0.00 C HETATM 15 C12 UNL 1 1.324 0.031 -0.888 1.00 0.00 C HETATM 16 S1 UNL 1 2.605 0.947 -0.172 1.00 0.00 S HETATM 17 O2 UNL 1 3.494 1.491 -1.262 1.00 0.00 O HETATM 18 O3 UNL 1 1.994 2.145 0.513 1.00 0.00 O HETATM 19 N3 UNL 1 3.494 0.079 1.005 1.00 0.00 N HETATM 20 C13 UNL 1 4.154 -1.088 0.488 1.00 0.00 C HETATM 21 C14 UNL 1 5.285 -0.756 -0.452 1.00 0.00 C HETATM 22 N4 UNL 1 5.813 0.572 -0.237 1.00 0.00 N HETATM 23 C15 UNL 1 7.180 0.593 -0.775 1.00 0.00 C HETATM 24 C16 UNL 1 7.739 2.001 -0.548 1.00 0.00 C HETATM 25 C17 UNL 1 5.836 0.820 1.172 1.00 0.00 C HETATM 26 C18 UNL 1 4.412 1.003 1.640 1.00 0.00 C HETATM 27 C19 UNL 1 1.569 -0.712 -2.015 1.00 0.00 C HETATM 28 C20 UNL 1 0.528 -1.429 -2.558 1.00 0.00 C HETATM 29 C21 UNL 1 -0.724 -1.400 -1.985 1.00 0.00 C HETATM 30 O4 UNL 1 -1.787 -2.123 -2.528 1.00 0.00 O HETATM 31 C22 UNL 1 -1.546 -2.884 -3.679 1.00 0.00 C HETATM 32 C23 UNL 1 -2.754 -3.615 -4.170 1.00 0.00 C HETATM 33 N5 UNL 1 -2.691 0.025 0.812 1.00 0.00 N HETATM 34 N6 UNL 1 -3.917 0.028 1.337 1.00 0.00 N HETATM 35 H1 UNL 1 -5.848 3.091 3.541 1.00 0.00 H HETATM 36 H2 UNL 1 -5.575 3.304 1.740 1.00 0.00 H HETATM 37 H3 UNL 1 -5.172 4.609 2.878 1.00 0.00 H HETATM 38 H4 UNL 1 -3.289 3.014 1.841 1.00 0.00 H HETATM 39 H5 UNL 1 -3.178 3.592 3.514 1.00 0.00 H HETATM 40 H6 UNL 1 -4.154 1.438 4.337 1.00 0.00 H HETATM 41 H7 UNL 1 -2.676 1.181 3.342 1.00 0.00 H HETATM 42 H8 UNL 1 -7.500 -2.116 1.706 1.00 0.00 H HETATM 43 H9 UNL 1 -7.517 -1.250 0.103 1.00 0.00 H HETATM 44 H10 UNL 1 -8.165 -0.417 1.537 1.00 0.00 H HETATM 45 H11 UNL 1 -0.134 0.647 0.579 1.00 0.00 H HETATM 46 H12 UNL 1 4.598 -1.624 1.353 1.00 0.00 H HETATM 47 H13 UNL 1 3.401 -1.754 0.054 1.00 0.00 H HETATM 48 H14 UNL 1 4.972 -0.800 -1.523 1.00 0.00 H HETATM 49 H15 UNL 1 6.124 -1.473 -0.334 1.00 0.00 H HETATM 50 H16 UNL 1 7.845 -0.103 -0.244 1.00 0.00 H HETATM 51 H17 UNL 1 7.190 0.395 -1.851 1.00 0.00 H HETATM 52 H18 UNL 1 8.485 2.004 0.269 1.00 0.00 H HETATM 53 H19 UNL 1 8.271 2.351 -1.460 1.00 0.00 H HETATM 54 H20 UNL 1 6.904 2.695 -0.385 1.00 0.00 H HETATM 55 H21 UNL 1 6.318 0.029 1.763 1.00 0.00 H HETATM 56 H22 UNL 1 6.374 1.757 1.354 1.00 0.00 H HETATM 57 H23 UNL 1 4.395 0.853 2.736 1.00 0.00 H HETATM 58 H24 UNL 1 4.143 2.060 1.448 1.00 0.00 H HETATM 59 H25 UNL 1 2.560 -0.745 -2.482 1.00 0.00 H HETATM 60 H26 UNL 1 0.693 -2.034 -3.461 1.00 0.00 H HETATM 61 H27 UNL 1 -0.734 -3.639 -3.528 1.00 0.00 H HETATM 62 H28 UNL 1 -1.174 -2.232 -4.516 1.00 0.00 H HETATM 63 H29 UNL 1 -2.801 -4.626 -3.676 1.00 0.00 H HETATM 64 H30 UNL 1 -2.732 -3.820 -5.256 1.00 0.00 H HETATM 65 H31 UNL 1 -3.704 -3.106 -3.913 1.00 0.00 H HETATM 66 H32 UNL 1 -1.981 0.610 1.314 1.00 0.00 H CONECT 1 2 35 36 37 CONECT 2 3 38 39 CONECT 3 4 40 41 CONECT 4 5 5 34 CONECT 5 6 CONECT 6 7 8 8 CONECT 7 42 43 44 CONECT 8 9 34 CONECT 9 10 10 11 CONECT 11 12 12 CONECT 12 13 33 CONECT 13 14 14 29 CONECT 14 15 45 CONECT 15 16 27 27 CONECT 16 17 17 18 18 CONECT 16 19 CONECT 19 20 26 CONECT 20 21 46 47 CONECT 21 22 48 49 CONECT 22 23 25 CONECT 23 24 50 51 CONECT 24 52 53 54 CONECT 25 26 55 56 CONECT 26 57 58 CONECT 27 28 59 CONECT 28 29 29 60 CONECT 29 30 CONECT 30 31 CONECT 31 32 61 62 CONECT 32 63 64 65 CONECT 33 34 66 END