REMARK Name = BDB027086 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.010 -1.095 -0.489 0.00 0.00 +0.156 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.276 -2.145 0.587 0.00 0.00 -0.023 A ATOM 3 C LIG 1 -0.539 -3.471 0.194 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -0.755 -4.475 1.140 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -0.705 -4.173 2.497 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -0.441 -2.869 2.907 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -0.225 -1.863 1.962 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 N LIG 1 -1.064 -1.047 -1.546 0.00 0.00 -0.303 NA ATOM 9 H LIG 1 -0.659 -0.594 -2.365 0.00 0.00 +0.123 HD BRANCH 8 10 ATOM 10 C LIG 1 -2.319 -0.347 -1.237 0.00 0.00 +0.086 C BRANCH 10 11 ATOM 11 C LIG 1 -3.126 -0.846 -0.031 0.00 0.00 +0.050 C BRANCH 11 15 ATOM 12 C LIG 1 -6.921 1.214 0.239 0.00 0.00 +0.120 A ATOM 13 C LIG 1 -5.762 1.802 0.747 0.00 0.00 +0.046 A ATOM 14 C LIG 1 -4.538 1.131 0.662 0.00 0.00 +0.007 A ATOM 15 C LIG 1 -4.457 -0.137 0.072 0.00 0.00 -0.046 A ATOM 16 C LIG 1 -5.620 -0.721 -0.441 0.00 0.00 +0.007 A ATOM 17 C LIG 1 -6.841 -0.047 -0.354 0.00 0.00 +0.046 A BRANCH 12 19 ATOM 18 C LIG 1 -8.309 3.038 0.867 0.00 0.00 +0.277 C ATOM 19 O LIG 1 -8.175 1.760 0.257 0.00 0.00 -0.495 OA ENDBRANCH 12 19 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 1 20 ATOM 20 C LIG 1 0.395 0.307 0.032 0.00 0.00 +0.186 C ATOM 21 O LIG 1 -0.438 1.098 0.485 0.00 0.00 -0.290 OA BRANCH 20 22 ATOM 22 C LIG 1 1.807 0.715 -0.038 0.00 0.00 +0.044 A ATOM 23 C LIG 1 3.024 -0.051 0.022 0.00 0.00 +0.010 A ATOM 24 C LIG 1 4.097 0.842 -0.118 0.00 0.00 +0.051 A ATOM 25 C LIG 1 5.454 0.444 -0.123 0.00 0.00 -0.021 A ATOM 26 C LIG 1 5.689 -0.936 0.043 0.00 0.00 +0.006 A ATOM 27 C LIG 1 4.654 -1.847 0.210 0.00 0.00 +0.001 A ATOM 28 N LIG 1 3.546 2.100 -0.224 0.00 0.00 -0.360 N ATOM 29 H LIG 1 4.078 2.953 -0.318 0.00 0.00 +0.165 HD ATOM 30 C LIG 1 3.326 -1.418 0.207 0.00 0.00 +0.011 A ATOM 31 C LIG 1 2.186 2.039 -0.158 0.00 0.00 +0.095 A BRANCH 25 32 ATOM 32 C LIG 1 6.652 1.370 -0.280 0.00 0.00 +0.015 C ATOM 33 C LIG 1 6.771 2.356 0.884 0.00 0.00 +0.012 C ATOM 34 C LIG 1 6.649 2.092 -1.629 0.00 0.00 +0.012 C ENDBRANCH 25 32 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 9