COMPND HMDB0014945 HETATM 1 C1 UNL 1 -6.008 -1.051 -1.464 1.00 0.00 C HETATM 2 C2 UNL 1 -6.737 -0.714 -0.210 1.00 0.00 C HETATM 3 C3 UNL 1 -6.283 0.529 0.512 1.00 0.00 C HETATM 4 O1 UNL 1 -5.034 0.578 0.946 1.00 0.00 O HETATM 5 C4 UNL 1 -3.739 0.589 0.670 1.00 0.00 C HETATM 6 C5 UNL 1 -3.140 0.556 -0.570 1.00 0.00 C HETATM 7 C6 UNL 1 -1.757 0.574 -0.741 1.00 0.00 C HETATM 8 C7 UNL 1 -0.927 0.628 0.343 1.00 0.00 C HETATM 9 C8 UNL 1 0.517 0.645 0.168 1.00 0.00 C HETATM 10 O2 UNL 1 0.987 0.612 -1.000 1.00 0.00 O HETATM 11 O3 UNL 1 1.402 0.697 1.220 1.00 0.00 O HETATM 12 C9 UNL 1 2.775 0.708 1.013 1.00 0.00 C HETATM 13 C10 UNL 1 3.347 -0.480 0.316 1.00 0.00 C HETATM 14 N1 UNL 1 4.749 -0.343 0.172 1.00 0.00 N HETATM 15 C11 UNL 1 5.440 -1.387 -0.476 1.00 0.00 C HETATM 16 C12 UNL 1 5.141 -1.531 -1.942 1.00 0.00 C HETATM 17 C13 UNL 1 5.306 0.948 0.175 1.00 0.00 C HETATM 18 C14 UNL 1 5.000 1.831 -0.984 1.00 0.00 C HETATM 19 C15 UNL 1 -1.481 0.664 1.596 1.00 0.00 C HETATM 20 C16 UNL 1 -2.845 0.646 1.771 1.00 0.00 C HETATM 21 N2 UNL 1 -3.400 0.685 3.067 1.00 0.00 N HETATM 22 H1 UNL 1 -6.603 -1.833 -1.988 1.00 0.00 H HETATM 23 H2 UNL 1 -5.952 -0.184 -2.151 1.00 0.00 H HETATM 24 H3 UNL 1 -5.041 -1.508 -1.232 1.00 0.00 H HETATM 25 H4 UNL 1 -6.589 -1.581 0.492 1.00 0.00 H HETATM 26 H5 UNL 1 -7.830 -0.644 -0.452 1.00 0.00 H HETATM 27 H6 UNL 1 -6.604 1.435 -0.104 1.00 0.00 H HETATM 28 H7 UNL 1 -7.004 0.586 1.410 1.00 0.00 H HETATM 29 H8 UNL 1 -3.749 0.529 -1.456 1.00 0.00 H HETATM 30 H9 UNL 1 -1.366 0.544 -1.759 1.00 0.00 H HETATM 31 H10 UNL 1 3.264 0.771 2.028 1.00 0.00 H HETATM 32 H11 UNL 1 3.025 1.641 0.460 1.00 0.00 H HETATM 33 H12 UNL 1 3.183 -1.358 1.013 1.00 0.00 H HETATM 34 H13 UNL 1 2.816 -0.735 -0.618 1.00 0.00 H HETATM 35 H14 UNL 1 6.531 -1.247 -0.351 1.00 0.00 H HETATM 36 H15 UNL 1 5.195 -2.350 0.016 1.00 0.00 H HETATM 37 H16 UNL 1 4.065 -1.700 -2.087 1.00 0.00 H HETATM 38 H17 UNL 1 5.683 -2.446 -2.296 1.00 0.00 H HETATM 39 H18 UNL 1 5.494 -0.654 -2.492 1.00 0.00 H HETATM 40 H19 UNL 1 4.948 1.485 1.103 1.00 0.00 H HETATM 41 H20 UNL 1 6.409 0.860 0.259 1.00 0.00 H HETATM 42 H21 UNL 1 4.189 1.496 -1.637 1.00 0.00 H HETATM 43 H22 UNL 1 5.912 1.976 -1.634 1.00 0.00 H HETATM 44 H23 UNL 1 4.746 2.884 -0.661 1.00 0.00 H HETATM 45 H24 UNL 1 -0.838 0.709 2.489 1.00 0.00 H HETATM 46 H25 UNL 1 -3.709 -0.191 3.513 1.00 0.00 H HETATM 47 H26 UNL 1 -3.489 1.595 3.553 1.00 0.00 H CONECT 1 2 22 23 24 CONECT 2 3 25 26 CONECT 3 4 27 28 CONECT 4 5 CONECT 5 6 6 20 CONECT 6 7 29 CONECT 7 8 8 30 CONECT 8 9 19 CONECT 9 10 10 11 CONECT 11 12 CONECT 12 13 31 32 CONECT 13 14 33 34 CONECT 14 15 17 CONECT 15 16 35 36 CONECT 16 37 38 39 CONECT 17 18 40 41 CONECT 18 42 43 44 CONECT 19 20 20 45 CONECT 20 21 CONECT 21 46 47 END