COMPND HMDB0260222 HETATM 1 C1 UNL 1 7.179 -0.398 1.207 1.00 0.00 C HETATM 2 N1 UNL 1 6.096 0.175 0.436 1.00 0.00 N HETATM 3 C2 UNL 1 4.754 -0.148 0.724 1.00 0.00 C HETATM 4 N2 UNL 1 4.434 -0.991 1.715 1.00 0.00 N HETATM 5 C3 UNL 1 3.130 -1.260 1.941 1.00 0.00 C HETATM 6 N3 UNL 1 2.132 -0.720 1.216 1.00 0.00 N HETATM 7 C4 UNL 1 2.397 0.135 0.207 1.00 0.00 C HETATM 8 C5 UNL 1 3.738 0.410 -0.024 1.00 0.00 C HETATM 9 N4 UNL 1 3.795 1.267 -1.052 1.00 0.00 N HETATM 10 C6 UNL 1 2.547 1.518 -1.447 1.00 0.00 C HETATM 11 N5 UNL 1 1.675 0.832 -0.686 1.00 0.00 N HETATM 12 C7 UNL 1 0.247 0.802 -0.756 1.00 0.00 C HETATM 13 C8 UNL 1 -0.255 -0.257 -1.749 1.00 0.00 C HETATM 14 C9 UNL 1 -1.656 -0.405 -1.164 1.00 0.00 C HETATM 15 O1 UNL 1 -2.356 -1.453 -1.648 1.00 0.00 O HETATM 16 P1 UNL 1 -3.776 -1.097 -2.443 1.00 0.00 P HETATM 17 O2 UNL 1 -3.814 -1.598 -3.862 1.00 0.00 O HETATM 18 O3 UNL 1 -5.044 -1.839 -1.595 1.00 0.00 O HETATM 19 O4 UNL 1 -4.038 0.572 -2.352 1.00 0.00 O HETATM 20 C10 UNL 1 -1.329 -0.418 0.283 1.00 0.00 C HETATM 21 C11 UNL 1 -2.537 -0.171 1.158 1.00 0.00 C HETATM 22 O5 UNL 1 -3.104 1.064 0.800 1.00 0.00 O HETATM 23 P2 UNL 1 -4.444 1.299 1.797 1.00 0.00 P HETATM 24 O6 UNL 1 -5.434 0.177 1.720 1.00 0.00 O HETATM 25 O7 UNL 1 -3.928 1.459 3.404 1.00 0.00 O HETATM 26 O8 UNL 1 -5.231 2.741 1.339 1.00 0.00 O HETATM 27 O9 UNL 1 -0.383 0.563 0.434 1.00 0.00 O HETATM 28 H1 UNL 1 8.111 0.233 1.119 1.00 0.00 H HETATM 29 H2 UNL 1 7.445 -1.418 0.818 1.00 0.00 H HETATM 30 H3 UNL 1 6.954 -0.497 2.268 1.00 0.00 H HETATM 31 H4 UNL 1 6.336 0.830 -0.335 1.00 0.00 H HETATM 32 H5 UNL 1 2.878 -1.953 2.757 1.00 0.00 H HETATM 33 H6 UNL 1 2.211 2.171 -2.258 1.00 0.00 H HETATM 34 H7 UNL 1 -0.173 1.771 -1.158 1.00 0.00 H HETATM 35 H8 UNL 1 0.352 -1.150 -1.593 1.00 0.00 H HETATM 36 H9 UNL 1 -0.265 0.114 -2.775 1.00 0.00 H HETATM 37 H10 UNL 1 -2.182 0.538 -1.398 1.00 0.00 H HETATM 38 H11 UNL 1 -5.859 -1.791 -2.190 1.00 0.00 H HETATM 39 H12 UNL 1 -4.176 0.970 -3.258 1.00 0.00 H HETATM 40 H13 UNL 1 -0.867 -1.379 0.616 1.00 0.00 H HETATM 41 H14 UNL 1 -2.270 -0.142 2.234 1.00 0.00 H HETATM 42 H15 UNL 1 -3.301 -0.932 0.954 1.00 0.00 H HETATM 43 H16 UNL 1 -4.068 0.630 3.912 1.00 0.00 H HETATM 44 H17 UNL 1 -5.920 2.482 0.683 1.00 0.00 H CONECT 1 2 28 29 30 CONECT 2 3 31 CONECT 3 4 4 8 CONECT 4 5 CONECT 5 6 6 32 CONECT 6 7 CONECT 7 8 8 11 CONECT 8 9 CONECT 9 10 10 CONECT 10 11 33 CONECT 11 12 CONECT 12 13 27 34 CONECT 13 14 35 36 CONECT 14 15 20 37 CONECT 15 16 CONECT 16 17 17 18 19 CONECT 18 38 CONECT 19 39 CONECT 20 21 27 40 CONECT 21 22 41 42 CONECT 22 23 CONECT 23 24 24 25 26 CONECT 25 43 CONECT 26 44 END