COMPND HMDB0006865 HETATM 1 C1 UNL 1 -3.718 -5.232 1.592 1.00 0.00 C HETATM 2 C2 UNL 1 -3.345 -3.987 0.846 1.00 0.00 C HETATM 3 N1 UNL 1 -2.282 -3.238 1.232 1.00 0.00 N HETATM 4 C3 UNL 1 -1.953 -2.111 0.549 1.00 0.00 C HETATM 5 C4 UNL 1 -2.682 -1.707 -0.537 1.00 0.00 C HETATM 6 C5 UNL 1 -2.352 -0.514 -1.279 1.00 0.00 C HETATM 7 N2 UNL 1 -1.155 0.185 -0.732 1.00 0.00 N1+ HETATM 8 C6 UNL 1 -1.356 1.109 0.205 1.00 0.00 C HETATM 9 C7 UNL 1 -2.670 1.547 0.819 1.00 0.00 C HETATM 10 O1 UNL 1 -2.426 1.699 2.182 1.00 0.00 O HETATM 11 C8 UNL 1 -3.130 2.869 0.276 1.00 0.00 C HETATM 12 C9 UNL 1 -2.118 3.946 0.585 1.00 0.00 C HETATM 13 C10 UNL 1 -1.879 4.159 2.046 1.00 0.00 C HETATM 14 C11 UNL 1 -2.585 5.295 0.024 1.00 0.00 C HETATM 15 S1 UNL 1 0.219 1.668 0.558 1.00 0.00 S HETATM 16 C12 UNL 1 1.075 0.679 -0.525 1.00 0.00 C HETATM 17 C13 UNL 1 2.560 0.650 -0.739 1.00 0.00 C HETATM 18 C14 UNL 1 3.194 -0.543 -0.079 1.00 0.00 C HETATM 19 O2 UNL 1 4.571 -0.535 -0.297 1.00 0.00 O HETATM 20 P1 UNL 1 5.320 -1.861 0.434 1.00 0.00 P HETATM 21 O3 UNL 1 4.555 -3.135 0.156 1.00 0.00 O HETATM 22 O4 UNL 1 5.420 -1.679 2.112 1.00 0.00 O HETATM 23 O5 UNL 1 6.892 -2.077 -0.146 1.00 0.00 O HETATM 24 P2 UNL 1 7.788 -0.666 0.179 1.00 0.00 P HETATM 25 O6 UNL 1 7.861 -0.455 1.666 1.00 0.00 O HETATM 26 O7 UNL 1 6.951 0.616 -0.579 1.00 0.00 O HETATM 27 O8 UNL 1 9.346 -0.813 -0.462 1.00 0.00 O HETATM 28 C15 UNL 1 0.088 -0.050 -1.119 1.00 0.00 C HETATM 29 C16 UNL 1 0.483 -1.078 -2.181 1.00 0.00 C HETATM 30 C17 UNL 1 -3.755 -2.480 -0.910 1.00 0.00 C HETATM 31 N3 UNL 1 -4.586 -2.164 -2.019 1.00 0.00 N HETATM 32 N4 UNL 1 -4.074 -3.614 -0.212 1.00 0.00 N HETATM 33 H1 UNL 1 -3.122 -5.282 2.515 1.00 0.00 H HETATM 34 H2 UNL 1 -3.559 -6.095 0.932 1.00 0.00 H HETATM 35 H3 UNL 1 -4.822 -5.206 1.800 1.00 0.00 H HETATM 36 H4 UNL 1 -1.110 -1.515 0.852 1.00 0.00 H HETATM 37 H5 UNL 1 -3.220 0.179 -1.311 1.00 0.00 H HETATM 38 H6 UNL 1 -2.106 -0.707 -2.343 1.00 0.00 H HETATM 39 H7 UNL 1 -3.397 0.731 0.633 1.00 0.00 H HETATM 40 H8 UNL 1 -3.290 1.534 2.647 1.00 0.00 H HETATM 41 H9 UNL 1 -4.136 3.145 0.641 1.00 0.00 H HETATM 42 H10 UNL 1 -3.173 2.837 -0.854 1.00 0.00 H HETATM 43 H11 UNL 1 -1.156 3.729 0.069 1.00 0.00 H HETATM 44 H12 UNL 1 -2.770 3.947 2.682 1.00 0.00 H HETATM 45 H13 UNL 1 -1.623 5.240 2.249 1.00 0.00 H HETATM 46 H14 UNL 1 -1.052 3.572 2.429 1.00 0.00 H HETATM 47 H15 UNL 1 -2.007 6.064 0.551 1.00 0.00 H HETATM 48 H16 UNL 1 -3.675 5.353 0.210 1.00 0.00 H HETATM 49 H17 UNL 1 -2.357 5.272 -1.056 1.00 0.00 H HETATM 50 H18 UNL 1 2.762 0.683 -1.830 1.00 0.00 H HETATM 51 H19 UNL 1 3.033 1.557 -0.312 1.00 0.00 H HETATM 52 H20 UNL 1 2.814 -1.464 -0.584 1.00 0.00 H HETATM 53 H21 UNL 1 2.998 -0.547 0.991 1.00 0.00 H HETATM 54 H22 UNL 1 6.057 -2.351 2.437 1.00 0.00 H HETATM 55 H23 UNL 1 7.247 1.461 -0.180 1.00 0.00 H HETATM 56 H24 UNL 1 9.354 -0.596 -1.445 1.00 0.00 H HETATM 57 H25 UNL 1 1.436 -0.782 -2.658 1.00 0.00 H HETATM 58 H26 UNL 1 -0.255 -1.131 -2.981 1.00 0.00 H HETATM 59 H27 UNL 1 0.655 -2.019 -1.647 1.00 0.00 H HETATM 60 H28 UNL 1 -5.541 -1.761 -1.860 1.00 0.00 H HETATM 61 H29 UNL 1 -4.243 -2.333 -2.980 1.00 0.00 H CONECT 1 2 33 34 35 CONECT 2 3 3 32 CONECT 3 4 CONECT 4 5 5 36 CONECT 5 6 30 CONECT 6 7 37 38 CONECT 7 8 8 28 CONECT 8 9 15 CONECT 9 10 11 39 CONECT 10 40 CONECT 11 12 41 42 CONECT 12 13 14 43 CONECT 13 44 45 46 CONECT 14 47 48 49 CONECT 15 16 CONECT 16 17 28 28 CONECT 17 18 50 51 CONECT 18 19 52 53 CONECT 19 20 CONECT 20 21 21 22 23 CONECT 22 54 CONECT 23 24 CONECT 24 25 25 26 27 CONECT 26 55 CONECT 27 56 CONECT 28 29 CONECT 29 57 58 59 CONECT 30 31 32 32 CONECT 31 60 61 END