REMARK Name = BDB065117 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.092 1.487 -0.036 0.00 0.00 +0.076 C ATOM 2 C LIG 1 2.140 2.163 0.946 0.00 0.00 +0.105 C ATOM 3 O LIG 1 3.497 2.169 0.457 0.00 0.00 -0.367 OA ATOM 4 C LIG 1 2.899 3.451 0.627 0.00 0.00 +0.196 C ATOM 5 C LIG 1 2.050 1.824 2.415 0.00 0.00 +0.038 C ATOM 6 C LIG 1 1.723 0.362 2.613 0.00 0.00 +0.003 C ATOM 7 C LIG 1 0.374 0.004 1.998 0.00 0.00 +0.005 C ATOM 8 C LIG 1 -0.102 0.958 0.874 0.00 0.00 +0.011 C ATOM 9 C LIG 1 -1.452 0.485 0.162 0.00 0.00 -0.023 C ATOM 10 C LIG 1 -1.272 -0.823 -0.631 0.00 0.00 +0.012 C ATOM 11 C LIG 1 -1.888 1.647 -0.814 0.00 0.00 -0.004 C ATOM 12 C LIG 1 -3.102 1.317 -1.703 0.00 0.00 +0.008 C ATOM 13 C LIG 1 -0.762 2.120 -1.735 0.00 0.00 +0.049 C ATOM 14 C LIG 1 0.500 2.580 -0.999 0.00 0.00 +0.189 C ENDROOT BRANCH 1 15 ATOM 15 C LIG 1 1.806 0.405 -0.917 0.00 0.00 +0.246 C BRANCH 15 16 ATOM 16 O LIG 1 2.073 -0.835 -0.248 0.00 0.00 -0.461 OA BRANCH 16 17 ATOM 17 C LIG 1 2.621 -1.778 -1.065 0.00 0.00 +0.335 C ATOM 18 O LIG 1 2.860 -1.617 -2.256 0.00 0.00 -0.245 OA BRANCH 17 21 ATOM 19 C LIG 1 2.835 -4.477 1.774 0.00 0.00 +0.036 C ATOM 20 C LIG 1 2.621 -3.254 0.941 0.00 0.00 -0.020 C ATOM 21 C LIG 1 2.903 -3.074 -0.365 0.00 0.00 +0.029 C ATOM 22 C LIG 1 3.515 -4.107 -1.271 0.00 0.00 +0.051 C ENDBRANCH 17 21 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 1 15 BRANCH 9 23 ATOM 23 C LIG 1 -2.603 0.353 1.261 0.00 0.00 +0.043 C BRANCH 23 24 ATOM 24 C LIG 1 -3.064 -1.012 1.832 0.00 0.00 +0.145 C BRANCH 24 25 ATOM 25 C LIG 1 -4.006 -1.794 0.973 0.00 0.00 +0.002 C ATOM 26 C LIG 1 -5.379 -1.308 0.702 0.00 0.00 +0.266 C ATOM 27 O LIG 1 -5.971 -2.335 -0.092 0.00 0.00 -0.457 OA ATOM 28 C LIG 1 -5.066 -3.331 -0.284 0.00 0.00 +0.332 C ATOM 29 O LIG 1 -5.251 -4.354 -0.914 0.00 0.00 -0.246 OA ATOM 30 C LIG 1 -3.825 -2.986 0.404 0.00 0.00 +0.096 C ENDBRANCH 24 25 BRANCH 24 31 ATOM 31 O LIG 1 -1.960 -1.822 2.196 0.00 0.00 -0.387 OA ATOM 32 H LIG 1 -2.299 -2.557 2.735 0.00 0.00 +0.210 HD ENDBRANCH 24 31 ENDBRANCH 23 24 ENDBRANCH 9 23 BRANCH 14 33 ATOM 33 O LIG 1 1.468 2.912 -2.027 0.00 0.00 -0.461 OA BRANCH 33 34 ATOM 34 C LIG 1 1.367 4.143 -2.601 0.00 0.00 +0.304 C ATOM 35 O LIG 1 0.561 5.006 -2.289 0.00 0.00 -0.251 OA ATOM 36 C LIG 1 2.407 4.295 -3.667 0.00 0.00 +0.136 C ENDBRANCH 33 34 ENDBRANCH 14 33 TORSDOF 10