REMARK Name = BDB065144 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.366 0.748 1.281 0.00 0.00 +0.181 C ATOM 2 C LIG 1 -0.330 0.021 0.075 0.00 0.00 +0.052 C ATOM 3 C LIG 1 -0.336 -1.569 0.224 0.00 0.00 +0.079 C ATOM 4 C LIG 1 -0.511 -2.122 -1.227 0.00 0.00 +0.189 C ATOM 5 C LIG 1 -1.789 -1.598 -1.897 0.00 0.00 +0.049 C ATOM 6 C LIG 1 -1.921 -0.064 -1.923 0.00 0.00 -0.004 C ATOM 7 C LIG 1 -3.273 0.270 -2.585 0.00 0.00 +0.008 C ATOM 8 C LIG 1 1.029 -1.906 0.872 0.00 0.00 +0.105 C ATOM 9 O LIG 1 1.533 -3.230 0.640 0.00 0.00 -0.367 OA ATOM 10 C LIG 1 2.287 -2.168 0.049 0.00 0.00 +0.196 C ATOM 11 C LIG 1 1.214 -1.426 2.294 0.00 0.00 +0.042 C ATOM 12 C LIG 1 -1.664 0.655 -0.524 0.00 0.00 -0.015 C ATOM 13 C LIG 1 -2.889 0.486 0.394 0.00 0.00 +0.012 C ATOM 14 C LIG 1 0.500 -0.094 2.550 0.00 0.00 +0.048 C ENDROOT BRANCH 1 15 ATOM 15 O LIG 1 1.755 1.014 0.907 0.00 0.00 -0.458 OA BRANCH 15 16 ATOM 16 C LIG 1 2.095 2.238 0.443 0.00 0.00 +0.335 C ATOM 17 O LIG 1 1.317 3.156 0.234 0.00 0.00 -0.245 OA BRANCH 16 20 ATOM 18 C LIG 1 5.903 1.335 0.405 0.00 0.00 +0.036 C ATOM 19 C LIG 1 4.418 1.381 0.583 0.00 0.00 -0.020 C ATOM 20 C LIG 1 3.563 2.335 0.161 0.00 0.00 +0.029 C ATOM 21 C LIG 1 3.939 3.571 -0.605 0.00 0.00 +0.051 C ENDBRANCH 16 20 ENDBRANCH 15 16 ENDBRANCH 1 15 BRANCH 4 22 ATOM 22 O LIG 1 -0.601 -3.559 -1.223 0.00 0.00 -0.461 OA BRANCH 22 23 ATOM 23 C LIG 1 0.115 -4.225 -2.166 0.00 0.00 +0.304 C ATOM 24 O LIG 1 0.771 -3.711 -3.062 0.00 0.00 -0.251 OA ATOM 25 C LIG 1 -0.023 -5.702 -1.959 0.00 0.00 +0.136 C ENDBRANCH 22 23 ENDBRANCH 4 22 BRANCH 3 26 ATOM 26 C LIG 1 -1.467 -2.172 1.130 0.00 0.00 +0.246 C BRANCH 26 27 ATOM 27 O LIG 1 -1.169 -3.531 1.502 0.00 0.00 -0.464 OA BRANCH 27 28 ATOM 28 C LIG 1 -2.113 -4.141 2.264 0.00 0.00 +0.304 C ATOM 29 O LIG 1 -3.155 -3.629 2.645 0.00 0.00 -0.251 OA ATOM 30 C LIG 1 -1.691 -5.544 2.574 0.00 0.00 +0.136 C ENDBRANCH 27 28 ENDBRANCH 26 27 ENDBRANCH 3 26 BRANCH 12 31 ATOM 31 C LIG 1 -1.462 2.188 -0.850 0.00 0.00 +0.086 C BRANCH 31 32 ATOM 32 C LIG 1 -1.649 3.242 0.248 0.00 0.00 +0.163 C ATOM 33 O LIG 1 -2.079 2.981 1.370 0.00 0.00 -0.292 OA BRANCH 32 34 ATOM 34 C LIG 1 -1.345 4.649 -0.094 0.00 0.00 +0.039 C ATOM 35 C LIG 1 -0.819 5.113 -1.383 0.00 0.00 +0.271 C ATOM 36 O LIG 1 -0.703 6.527 -1.217 0.00 0.00 -0.457 OA ATOM 37 C LIG 1 -1.090 6.858 0.046 0.00 0.00 +0.333 C ATOM 38 O LIG 1 -1.102 7.982 0.512 0.00 0.00 -0.246 OA ATOM 39 C LIG 1 -1.506 5.656 0.759 0.00 0.00 +0.102 C ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 12 31 TORSDOF 11