COMPND HMDB0014814 HETATM 1 O1 UNL 1 -0.244 1.488 0.171 1.00 0.00 O HETATM 2 C1 UNL 1 -0.787 0.525 -0.461 1.00 0.00 C HETATM 3 O2 UNL 1 0.009 -0.076 -1.419 1.00 0.00 O HETATM 4 C2 UNL 1 1.314 0.258 -1.755 1.00 0.00 C HETATM 5 C3 UNL 1 2.294 0.149 -0.647 1.00 0.00 C HETATM 6 C4 UNL 1 2.713 1.278 0.023 1.00 0.00 C HETATM 7 C5 UNL 1 3.624 1.212 1.064 1.00 0.00 C HETATM 8 C6 UNL 1 4.150 0.005 1.472 1.00 0.00 C HETATM 9 C7 UNL 1 3.738 -1.132 0.809 1.00 0.00 C HETATM 10 C8 UNL 1 2.822 -1.057 -0.236 1.00 0.00 C HETATM 11 C9 UNL 1 -2.147 0.102 -0.180 1.00 0.00 C HETATM 12 C10 UNL 1 -2.866 0.755 0.788 1.00 0.00 C HETATM 13 C11 UNL 1 -4.177 0.390 1.098 1.00 0.00 C HETATM 14 C12 UNL 1 -4.754 -0.669 0.394 1.00 0.00 C HETATM 15 C13 UNL 1 -4.046 -1.333 -0.580 1.00 0.00 C HETATM 16 C14 UNL 1 -2.738 -0.934 -0.857 1.00 0.00 C HETATM 17 H1 UNL 1 1.395 1.269 -2.253 1.00 0.00 H HETATM 18 H2 UNL 1 1.618 -0.453 -2.582 1.00 0.00 H HETATM 19 H3 UNL 1 2.341 2.273 -0.247 1.00 0.00 H HETATM 20 H4 UNL 1 3.947 2.113 1.585 1.00 0.00 H HETATM 21 H5 UNL 1 4.875 -0.049 2.300 1.00 0.00 H HETATM 22 H6 UNL 1 4.154 -2.076 1.133 1.00 0.00 H HETATM 23 H7 UNL 1 2.499 -1.949 -0.756 1.00 0.00 H HETATM 24 H8 UNL 1 -2.456 1.575 1.352 1.00 0.00 H HETATM 25 H9 UNL 1 -4.756 0.895 1.858 1.00 0.00 H HETATM 26 H10 UNL 1 -5.782 -0.944 0.647 1.00 0.00 H HETATM 27 H11 UNL 1 -4.532 -2.140 -1.093 1.00 0.00 H HETATM 28 H12 UNL 1 -2.208 -1.476 -1.627 1.00 0.00 H CONECT 1 2 2 CONECT 2 3 11 CONECT 3 4 CONECT 4 5 17 18 CONECT 5 6 6 10 CONECT 6 7 19 CONECT 7 8 8 20 CONECT 8 9 21 CONECT 9 10 10 22 CONECT 10 23 CONECT 11 12 12 16 CONECT 12 13 24 CONECT 13 14 14 25 CONECT 14 15 26 CONECT 15 16 16 27 CONECT 16 28 END