REMARK Name = BDB063096 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.556 -0.798 -0.011 0.00 0.00 +0.000 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 2.084 -0.760 -0.121 0.00 0.00 +0.000 C BRANCH 2 3 ATOM 3 C LIG 1 2.766 -2.015 0.436 0.00 0.00 +0.004 C BRANCH 3 4 ATOM 4 C LIG 1 4.270 -2.055 0.144 0.00 0.00 +0.028 C BRANCH 4 9 ATOM 5 C LIG 1 6.997 2.452 -2.147 0.00 0.00 +0.055 C ATOM 6 C LIG 1 6.117 1.878 -1.049 0.00 0.00 +0.207 C ATOM 7 C LIG 1 5.854 0.380 -1.155 0.00 0.00 +0.191 C ATOM 8 C LIG 1 5.703 0.030 0.277 0.00 0.00 +0.064 C ATOM 9 C LIG 1 5.031 -0.975 0.859 0.00 0.00 -0.014 C ATOM 10 C LIG 1 6.408 1.069 1.065 0.00 0.00 +0.338 C ATOM 11 O LIG 1 6.637 1.031 2.259 0.00 0.00 -0.245 OA ATOM 12 O LIG 1 6.754 2.080 0.222 0.00 0.00 -0.455 OA BRANCH 7 13 ATOM 13 O LIG 1 6.957 -0.334 -1.701 0.00 0.00 -0.383 OA ATOM 14 H LIG 1 6.851 -1.271 -1.464 0.00 0.00 +0.210 HD ENDBRANCH 7 13 ENDBRANCH 4 9 ENDBRANCH 3 4 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 15 ATOM 15 C LIG 1 0.051 -0.763 1.435 0.00 0.00 +0.000 C BRANCH 15 16 ATOM 16 C LIG 1 -1.477 -0.798 1.542 0.00 0.00 +0.000 C BRANCH 16 17 ATOM 17 C LIG 1 -2.153 0.469 1.007 0.00 0.00 +0.004 C BRANCH 17 18 ATOM 18 C LIG 1 -3.659 0.527 1.300 0.00 0.00 +0.028 C BRANCH 18 19 ATOM 19 C LIG 1 -4.446 -0.505 0.543 0.00 0.00 -0.014 C ATOM 20 C LIG 1 -5.429 -0.281 -0.345 0.00 0.00 +0.064 C ATOM 21 C LIG 1 -6.077 0.962 -0.841 0.00 0.00 +0.191 C ATOM 22 C LIG 1 -7.425 0.424 -1.309 0.00 0.00 +0.207 C ATOM 23 C LIG 1 -8.532 0.426 -0.258 0.00 0.00 +0.055 C ATOM 24 O LIG 1 -7.172 -0.925 -1.719 0.00 0.00 -0.455 OA ATOM 25 C LIG 1 -6.092 -1.411 -1.044 0.00 0.00 +0.338 C ATOM 26 O LIG 1 -5.723 -2.571 -1.054 0.00 0.00 -0.245 OA BRANCH 21 27 ATOM 27 O LIG 1 -6.189 1.972 0.143 0.00 0.00 -0.383 OA ATOM 28 H LIG 1 -6.543 2.768 -0.288 0.00 0.00 +0.210 HD ENDBRANCH 21 27 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 16 17 ENDBRANCH 15 16 ENDBRANCH 1 15 TORSDOF 11