COMPND HMDB0246736 HETATM 1 N1 UNL 1 6.727 -0.926 -1.189 1.00 0.00 N HETATM 2 C1 UNL 1 5.864 -0.243 -0.285 1.00 0.00 C HETATM 3 N2 UNL 1 6.372 0.634 0.710 1.00 0.00 N HETATM 4 N3 UNL 1 4.593 -0.410 -0.353 1.00 0.00 N HETATM 5 C2 UNL 1 3.697 0.247 0.524 1.00 0.00 C HETATM 6 O1 UNL 1 4.111 0.948 1.470 1.00 0.00 O HETATM 7 C3 UNL 1 2.254 0.087 0.299 1.00 0.00 C HETATM 8 N4 UNL 1 1.782 -0.663 -0.713 1.00 0.00 N HETATM 9 C4 UNL 1 0.452 -0.829 -0.945 1.00 0.00 C HETATM 10 CL1 UNL 1 -0.052 -1.834 -2.284 1.00 0.00 CL HETATM 11 C5 UNL 1 -0.438 -0.202 -0.109 1.00 0.00 C HETATM 12 N5 UNL 1 -1.844 -0.293 -0.259 1.00 0.00 N HETATM 13 C6 UNL 1 -2.578 0.378 0.826 1.00 0.00 C HETATM 14 C7 UNL 1 -3.723 1.210 0.318 1.00 0.00 C HETATM 15 C8 UNL 1 -4.974 0.369 0.489 1.00 0.00 C HETATM 16 C9 UNL 1 -4.628 -1.005 -0.050 1.00 0.00 C HETATM 17 C10 UNL 1 -3.976 -0.808 -1.372 1.00 0.00 C HETATM 18 C11 UNL 1 -2.453 -0.957 -1.345 1.00 0.00 C HETATM 19 N6 UNL 1 0.073 0.551 0.908 1.00 0.00 N HETATM 20 C12 UNL 1 1.368 0.722 1.146 1.00 0.00 C HETATM 21 N7 UNL 1 1.885 1.510 2.211 1.00 0.00 N HETATM 22 H1 UNL 1 7.146 -1.867 -0.949 1.00 0.00 H HETATM 23 H2 UNL 1 6.996 -0.552 -2.127 1.00 0.00 H HETATM 24 H3 UNL 1 6.515 0.289 1.674 1.00 0.00 H HETATM 25 H4 UNL 1 6.615 1.631 0.519 1.00 0.00 H HETATM 26 H5 UNL 1 -2.868 -0.335 1.622 1.00 0.00 H HETATM 27 H6 UNL 1 -1.891 1.107 1.353 1.00 0.00 H HETATM 28 H7 UNL 1 -3.555 1.577 -0.692 1.00 0.00 H HETATM 29 H8 UNL 1 -3.856 2.132 0.957 1.00 0.00 H HETATM 30 H9 UNL 1 -5.771 0.786 -0.149 1.00 0.00 H HETATM 31 H10 UNL 1 -5.253 0.354 1.549 1.00 0.00 H HETATM 32 H11 UNL 1 -5.624 -1.516 -0.209 1.00 0.00 H HETATM 33 H12 UNL 1 -4.075 -1.639 0.637 1.00 0.00 H HETATM 34 H13 UNL 1 -4.295 0.116 -1.887 1.00 0.00 H HETATM 35 H14 UNL 1 -4.327 -1.632 -2.054 1.00 0.00 H HETATM 36 H15 UNL 1 -2.154 -0.552 -2.348 1.00 0.00 H HETATM 37 H16 UNL 1 -2.299 -2.048 -1.236 1.00 0.00 H HETATM 38 H17 UNL 1 2.225 1.103 3.114 1.00 0.00 H HETATM 39 H18 UNL 1 1.957 2.562 2.152 1.00 0.00 H CONECT 1 2 22 23 CONECT 2 3 4 4 CONECT 3 24 25 CONECT 4 5 CONECT 5 6 6 7 CONECT 7 8 8 20 CONECT 8 9 CONECT 9 10 11 11 CONECT 11 12 19 CONECT 12 13 18 CONECT 13 14 26 27 CONECT 14 15 28 29 CONECT 15 16 30 31 CONECT 16 17 32 33 CONECT 17 18 34 35 CONECT 18 36 37 CONECT 19 20 20 CONECT 20 21 CONECT 21 38 39 END