COMPND HMDB0041885 HETATM 1 N1 UNL 1 -7.419 -1.342 1.676 1.00 0.00 N HETATM 2 C1 UNL 1 -6.305 -1.281 1.043 1.00 0.00 C HETATM 3 N2 UNL 1 -5.154 -0.815 1.722 1.00 0.00 N HETATM 4 N3 UNL 1 -6.227 -1.666 -0.294 1.00 0.00 N HETATM 5 C2 UNL 1 -5.351 -1.018 -1.246 1.00 0.00 C HETATM 6 N4 UNL 1 -4.519 -0.009 -1.039 1.00 0.00 N HETATM 7 C3 UNL 1 -3.801 0.451 -2.016 1.00 0.00 C HETATM 8 C4 UNL 1 -2.833 1.600 -1.820 1.00 0.00 C HETATM 9 S1 UNL 1 -1.213 0.969 -1.377 1.00 0.00 S HETATM 10 C5 UNL 1 -1.180 0.171 0.235 1.00 0.00 C HETATM 11 C6 UNL 1 0.235 -0.318 0.472 1.00 0.00 C HETATM 12 N5 UNL 1 1.177 0.788 0.449 1.00 0.00 N HETATM 13 C7 UNL 1 2.043 0.948 -0.476 1.00 0.00 C HETATM 14 N6 UNL 1 2.923 2.046 -0.429 1.00 0.00 N HETATM 15 S2 UNL 1 4.571 1.752 -0.854 1.00 0.00 S HETATM 16 O1 UNL 1 4.661 1.119 -2.221 1.00 0.00 O HETATM 17 O2 UNL 1 5.349 3.016 -0.872 1.00 0.00 O HETATM 18 C8 UNL 1 5.202 0.583 0.302 1.00 0.00 C HETATM 19 C9 UNL 1 5.100 -0.762 0.064 1.00 0.00 C HETATM 20 C10 UNL 1 5.593 -1.684 0.967 1.00 0.00 C HETATM 21 C11 UNL 1 6.202 -1.284 2.131 1.00 0.00 C HETATM 22 BR1 UNL 1 6.890 -2.539 3.394 1.00 0.00 BR HETATM 23 C12 UNL 1 6.307 0.074 2.376 1.00 0.00 C HETATM 24 C13 UNL 1 5.814 0.998 1.473 1.00 0.00 C HETATM 25 C14 UNL 1 -3.949 -0.152 -3.243 1.00 0.00 C HETATM 26 S3 UNL 1 -5.120 -1.349 -2.903 1.00 0.00 S HETATM 27 H1 UNL 1 -8.313 -1.673 1.251 1.00 0.00 H HETATM 28 H2 UNL 1 -4.637 -1.530 2.302 1.00 0.00 H HETATM 29 H3 UNL 1 -4.847 0.179 1.643 1.00 0.00 H HETATM 30 H4 UNL 1 -6.808 -2.447 -0.651 1.00 0.00 H HETATM 31 H5 UNL 1 -3.233 2.303 -1.060 1.00 0.00 H HETATM 32 H6 UNL 1 -2.760 2.122 -2.788 1.00 0.00 H HETATM 33 H7 UNL 1 -1.826 -0.733 0.245 1.00 0.00 H HETATM 34 H8 UNL 1 -1.443 0.843 1.068 1.00 0.00 H HETATM 35 H9 UNL 1 0.469 -1.073 -0.280 1.00 0.00 H HETATM 36 H10 UNL 1 0.255 -0.722 1.506 1.00 0.00 H HETATM 37 H11 UNL 1 2.099 0.250 -1.281 1.00 0.00 H HETATM 38 H12 UNL 1 2.657 3.009 -0.160 1.00 0.00 H HETATM 39 H13 UNL 1 4.621 -1.109 -0.853 1.00 0.00 H HETATM 40 H14 UNL 1 5.509 -2.740 0.772 1.00 0.00 H HETATM 41 H15 UNL 1 6.787 0.369 3.294 1.00 0.00 H HETATM 42 H16 UNL 1 5.894 2.062 1.659 1.00 0.00 H HETATM 43 H17 UNL 1 -3.421 0.110 -4.179 1.00 0.00 H CONECT 1 2 2 27 CONECT 2 3 4 CONECT 3 28 29 CONECT 4 5 30 CONECT 5 6 6 26 CONECT 6 7 CONECT 7 8 25 25 CONECT 8 9 31 32 CONECT 9 10 CONECT 10 11 33 34 CONECT 11 12 35 36 CONECT 12 13 13 CONECT 13 14 37 CONECT 14 15 38 CONECT 15 16 16 17 17 CONECT 15 18 CONECT 18 19 19 24 CONECT 19 20 39 CONECT 20 21 21 40 CONECT 21 22 23 CONECT 23 24 24 41 CONECT 24 42 CONECT 25 26 43 END