COMPND HMDB0250957 HETATM 1 C1 UNL 1 -1.787 4.201 2.925 1.00 0.00 C HETATM 2 C2 UNL 1 -0.851 4.553 3.662 1.00 0.00 C HETATM 3 C3 UNL 1 0.303 4.038 2.739 1.00 0.00 C HETATM 4 C4 UNL 1 -0.022 3.429 1.536 1.00 0.00 C HETATM 5 C5 UNL 1 0.633 2.864 0.464 1.00 0.00 C HETATM 6 N1 UNL 1 2.024 2.785 0.458 1.00 0.00 N HETATM 7 C6 UNL 1 2.771 1.693 0.294 1.00 0.00 C HETATM 8 N2 UNL 1 2.162 0.520 0.048 1.00 0.00 N HETATM 9 C7 UNL 1 3.105 -0.453 -0.101 1.00 0.00 C HETATM 10 N3 UNL 1 2.681 -1.690 -0.368 1.00 0.00 N HETATM 11 C8 UNL 1 1.388 -2.124 -0.492 1.00 0.00 C HETATM 12 N4 UNL 1 0.391 -1.593 -1.214 1.00 0.00 N HETATM 13 C9 UNL 1 -0.700 -2.336 -0.970 1.00 0.00 C HETATM 14 N5 UNL 1 -1.977 -2.171 -1.433 1.00 0.00 N HETATM 15 C10 UNL 1 -2.710 -1.054 -1.454 1.00 0.00 C HETATM 16 N6 UNL 1 -2.169 0.118 -1.029 1.00 0.00 N HETATM 17 C11 UNL 1 -3.039 1.119 -1.136 1.00 0.00 C HETATM 18 N7 UNL 1 -2.610 2.326 -0.761 1.00 0.00 N HETATM 19 C12 UNL 1 -1.438 2.655 -0.081 1.00 0.00 C HETATM 20 N8 UNL 1 -0.190 2.415 -0.481 1.00 0.00 N HETATM 21 C13 UNL 1 -1.521 3.264 1.114 1.00 0.00 C HETATM 22 C14 UNL 1 -1.999 3.817 2.168 1.00 0.00 C HETATM 23 C15 UNL 1 -4.271 0.565 -1.680 1.00 0.00 C HETATM 24 C16 UNL 1 -5.482 1.151 -1.991 1.00 0.00 C HETATM 25 C17 UNL 1 -6.490 0.380 -2.501 1.00 0.00 C HETATM 26 C18 UNL 1 -6.281 -0.992 -2.702 1.00 0.00 C HETATM 27 C19 UNL 1 -5.092 -1.583 -2.400 1.00 0.00 C HETATM 28 C20 UNL 1 -4.060 -0.781 -1.875 1.00 0.00 C HETATM 29 C21 UNL 1 -0.397 -3.374 -0.076 1.00 0.00 C HETATM 30 C22 UNL 1 -1.105 -4.429 0.503 1.00 0.00 C HETATM 31 C23 UNL 1 -0.552 -5.344 1.362 1.00 0.00 C HETATM 32 C24 UNL 1 0.785 -5.192 1.655 1.00 0.00 C HETATM 33 C25 UNL 1 1.510 -4.165 1.102 1.00 0.00 C HETATM 34 C26 UNL 1 0.933 -3.242 0.230 1.00 0.00 C HETATM 35 C27 UNL 1 4.406 0.126 0.057 1.00 0.00 C HETATM 36 C28 UNL 1 5.721 -0.356 0.015 1.00 0.00 C HETATM 37 C29 UNL 1 6.809 0.445 0.207 1.00 0.00 C HETATM 38 C30 UNL 1 6.609 1.787 0.454 1.00 0.00 C HETATM 39 C31 UNL 1 5.317 2.263 0.497 1.00 0.00 C HETATM 40 C32 UNL 1 4.199 1.472 0.305 1.00 0.00 C HETATM 41 H1 UNL 1 -0.520 4.978 4.500 1.00 0.00 H HETATM 42 H2 UNL 1 1.271 4.170 3.056 1.00 0.00 H HETATM 43 H3 UNL 1 0.458 -0.744 -1.911 1.00 0.00 H HETATM 44 H4 UNL 1 0.107 1.966 -1.449 1.00 0.00 H HETATM 45 H5 UNL 1 -5.613 2.194 -1.831 1.00 0.00 H HETATM 46 H6 UNL 1 -7.468 0.773 -2.769 1.00 0.00 H HETATM 47 H7 UNL 1 -7.097 -1.574 -3.108 1.00 0.00 H HETATM 48 H8 UNL 1 -4.910 -2.634 -2.545 1.00 0.00 H HETATM 49 H9 UNL 1 -2.148 -4.537 0.266 1.00 0.00 H HETATM 50 H10 UNL 1 -1.145 -6.148 1.786 1.00 0.00 H HETATM 51 H11 UNL 1 1.219 -5.917 2.334 1.00 0.00 H HETATM 52 H12 UNL 1 2.551 -4.045 1.330 1.00 0.00 H HETATM 53 H13 UNL 1 5.856 -1.424 -0.184 1.00 0.00 H HETATM 54 H14 UNL 1 7.831 0.095 0.180 1.00 0.00 H HETATM 55 H15 UNL 1 7.443 2.432 0.608 1.00 0.00 H HETATM 56 H16 UNL 1 5.160 3.308 0.688 1.00 0.00 H CONECT 1 2 22 22 22 CONECT 2 3 3 41 CONECT 3 4 42 CONECT 4 5 5 21 CONECT 5 6 20 CONECT 6 7 7 CONECT 7 8 40 CONECT 8 9 9 CONECT 9 10 35 CONECT 10 11 11 CONECT 11 12 34 CONECT 12 13 43 CONECT 13 14 14 29 CONECT 14 15 CONECT 15 16 16 28 CONECT 16 17 CONECT 17 18 18 23 CONECT 18 19 CONECT 19 20 21 21 CONECT 20 44 CONECT 21 22 CONECT 23 24 24 28 CONECT 24 25 45 CONECT 25 26 26 46 CONECT 26 27 47 CONECT 27 28 28 48 CONECT 29 30 30 34 CONECT 30 31 49 CONECT 31 32 32 50 CONECT 32 33 51 CONECT 33 34 34 52 CONECT 35 36 36 40 CONECT 36 37 53 CONECT 37 38 38 54 CONECT 38 39 55 CONECT 39 40 40 56 END