REMARK Name = BDB057611 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.345 0.275 1.483 0.00 0.00 +0.124 A ATOM 2 C LIG 1 2.384 -0.637 1.049 0.00 0.00 +0.058 A ATOM 3 C LIG 1 1.211 -0.180 0.424 0.00 0.00 +0.040 A ATOM 4 C LIG 1 0.206 -1.164 -0.028 0.00 0.00 +0.195 C ATOM 5 C LIG 1 -1.029 -0.691 -0.686 0.00 0.00 +0.037 A ATOM 6 C LIG 1 -1.245 0.673 -0.879 0.00 0.00 +0.078 A ATOM 7 C LIG 1 -0.238 1.648 -0.426 0.00 0.00 +0.202 C ATOM 8 O LIG 1 -0.432 2.851 -0.598 0.00 0.00 -0.286 OA ATOM 9 C LIG 1 -2.421 1.097 -1.504 0.00 0.00 +0.170 A ATOM 10 C LIG 1 -3.366 0.160 -1.928 0.00 0.00 +0.162 A ATOM 11 C LIG 1 -3.165 -1.208 -1.743 0.00 0.00 -0.005 A ATOM 12 C LIG 1 -4.186 -2.207 -2.203 0.00 0.00 +0.047 C ATOM 13 C LIG 1 -1.984 -1.628 -1.116 0.00 0.00 +0.019 A ATOM 14 O LIG 1 0.397 -2.362 0.142 0.00 0.00 -0.287 OA ATOM 15 C LIG 1 0.997 1.184 0.232 0.00 0.00 +0.075 A ATOM 16 C LIG 1 1.965 2.093 0.670 0.00 0.00 +0.132 A ATOM 17 C LIG 1 3.128 1.641 1.290 0.00 0.00 +0.091 A ENDROOT BRANCH 1 19 ATOM 18 C LIG 1 4.797 -1.414 2.325 0.00 0.00 +0.277 C ATOM 19 O LIG 1 4.524 -0.035 2.102 0.00 0.00 -0.495 OA ENDBRANCH 1 19 BRANCH 9 20 ATOM 20 O LIG 1 -2.726 2.416 -1.740 0.00 0.00 -0.503 OA ATOM 21 H LIG 1 -1.985 2.964 -1.395 0.00 0.00 +0.292 HD ENDBRANCH 9 20 BRANCH 10 22 ATOM 22 O LIG 1 -4.508 0.602 -2.537 0.00 0.00 -0.503 OA ATOM 23 H LIG 1 -4.426 1.577 -2.554 0.00 0.00 +0.292 HD ENDBRANCH 10 22 BRANCH 16 24 ATOM 24 O LIG 1 1.841 3.449 0.524 0.00 0.00 -0.506 OA ATOM 25 H LIG 1 0.988 3.641 0.078 0.00 0.00 +0.292 HD ENDBRANCH 16 24 TORSDOF 4