COMPND HMDB0006880 HETATM 1 C1 UNL 1 5.669 2.675 1.635 1.00 0.00 C HETATM 2 C2 UNL 1 5.264 1.515 0.809 1.00 0.00 C HETATM 3 O1 UNL 1 5.471 1.458 -0.446 1.00 0.00 O HETATM 4 O2 UNL 1 4.623 0.396 1.353 1.00 0.00 O HETATM 5 P1 UNL 1 4.166 -0.924 0.394 1.00 0.00 P HETATM 6 O3 UNL 1 4.946 -2.144 0.881 1.00 0.00 O HETATM 7 O4 UNL 1 4.537 -0.659 -1.234 1.00 0.00 O HETATM 8 O5 UNL 1 2.499 -1.243 0.486 1.00 0.00 O HETATM 9 C3 UNL 1 1.992 -1.547 -0.776 1.00 0.00 C HETATM 10 C4 UNL 1 0.524 -1.818 -0.631 1.00 0.00 C HETATM 11 O6 UNL 1 -0.078 -0.679 -0.120 1.00 0.00 O HETATM 12 C5 UNL 1 -1.425 -0.853 -0.458 1.00 0.00 C HETATM 13 N1 UNL 1 -2.217 0.318 -0.236 1.00 0.00 N HETATM 14 C6 UNL 1 -2.188 1.485 -0.865 1.00 0.00 C HETATM 15 N2 UNL 1 -3.115 2.337 -0.339 1.00 0.00 N HETATM 16 C7 UNL 1 -3.739 1.675 0.650 1.00 0.00 C HETATM 17 C8 UNL 1 -4.753 2.082 1.495 1.00 0.00 C HETATM 18 N3 UNL 1 -5.329 3.378 1.429 1.00 0.00 N HETATM 19 N4 UNL 1 -5.174 1.173 2.399 1.00 0.00 N HETATM 20 C9 UNL 1 -4.621 -0.068 2.462 1.00 0.00 C HETATM 21 N5 UNL 1 -3.634 -0.447 1.630 1.00 0.00 N HETATM 22 C10 UNL 1 -3.174 0.412 0.710 1.00 0.00 C HETATM 23 C11 UNL 1 -1.318 -1.156 -1.936 1.00 0.00 C HETATM 24 O7 UNL 1 -2.468 -1.737 -2.445 1.00 0.00 O HETATM 25 C12 UNL 1 -0.147 -2.118 -1.948 1.00 0.00 C HETATM 26 O8 UNL 1 -0.658 -3.411 -1.892 1.00 0.00 O HETATM 27 H1 UNL 1 5.070 2.676 2.557 1.00 0.00 H HETATM 28 H2 UNL 1 6.770 2.589 1.833 1.00 0.00 H HETATM 29 H3 UNL 1 5.500 3.588 1.019 1.00 0.00 H HETATM 30 H4 UNL 1 4.672 -1.492 -1.724 1.00 0.00 H HETATM 31 H5 UNL 1 2.491 -2.452 -1.155 1.00 0.00 H HETATM 32 H6 UNL 1 2.145 -0.658 -1.429 1.00 0.00 H HETATM 33 H7 UNL 1 0.360 -2.628 0.111 1.00 0.00 H HETATM 34 H8 UNL 1 -1.857 -1.752 0.020 1.00 0.00 H HETATM 35 H9 UNL 1 -1.521 1.725 -1.682 1.00 0.00 H HETATM 36 H10 UNL 1 -5.630 3.766 0.512 1.00 0.00 H HETATM 37 H11 UNL 1 -5.472 3.977 2.269 1.00 0.00 H HETATM 38 H12 UNL 1 -4.954 -0.807 3.187 1.00 0.00 H HETATM 39 H13 UNL 1 -0.998 -0.262 -2.520 1.00 0.00 H HETATM 40 H14 UNL 1 -2.744 -2.454 -1.846 1.00 0.00 H HETATM 41 H15 UNL 1 0.525 -1.954 -2.812 1.00 0.00 H HETATM 42 H16 UNL 1 -0.010 -3.959 -1.350 1.00 0.00 H CONECT 1 2 27 28 29 CONECT 2 3 3 4 CONECT 4 5 CONECT 5 6 6 7 8 CONECT 7 30 CONECT 8 9 CONECT 9 10 31 32 CONECT 10 11 25 33 CONECT 11 12 CONECT 12 13 23 34 CONECT 13 14 22 CONECT 14 15 15 35 CONECT 15 16 CONECT 16 17 17 22 CONECT 17 18 19 CONECT 18 36 37 CONECT 19 20 20 CONECT 20 21 38 CONECT 21 22 22 CONECT 23 24 25 39 CONECT 24 40 CONECT 25 26 41 CONECT 26 42 END