REMARK Name = BDB009881 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.687 -0.572 0.557 0.00 0.00 +0.144 A ATOM 2 N LIG 1 0.485 -0.323 -0.090 0.00 0.00 -0.315 N ATOM 3 C LIG 1 -0.406 -1.315 0.266 0.00 0.00 +0.129 A ATOM 4 C LIG 1 0.333 -2.142 1.093 0.00 0.00 +0.184 A ATOM 5 N LIG 1 -0.130 -3.273 1.648 0.00 0.00 -0.200 NA ATOM 6 C LIG 1 -1.403 -3.517 1.287 0.00 0.00 +0.242 A ATOM 7 N LIG 1 -2.198 -2.772 0.494 0.00 0.00 -0.205 NA ATOM 8 C LIG 1 -1.730 -1.629 -0.037 0.00 0.00 +0.149 A ATOM 9 N LIG 1 1.600 -1.678 1.271 0.00 0.00 -0.208 NA ENDROOT BRANCH 1 12 ATOM 10 C LIG 1 5.258 0.344 -0.217 0.00 0.00 +0.121 A ATOM 11 C LIG 1 4.072 -0.382 -0.066 0.00 0.00 +0.057 A ATOM 12 C LIG 1 2.908 0.224 0.425 0.00 0.00 +0.021 A ATOM 13 C LIG 1 2.951 1.571 0.797 0.00 0.00 +0.012 A ATOM 14 C LIG 1 4.132 2.300 0.654 0.00 0.00 +0.004 A ATOM 15 C LIG 1 5.282 1.689 0.145 0.00 0.00 +0.045 A BRANCH 10 16 ATOM 16 O LIG 1 6.302 -0.382 -0.717 0.00 0.00 -0.492 OA BRANCH 16 18 ATOM 17 C LIG 1 8.406 0.262 0.308 0.00 0.00 +0.048 C ATOM 18 C LIG 1 7.552 0.266 -0.948 0.00 0.00 +0.225 C ENDBRANCH 16 18 ENDBRANCH 10 16 ENDBRANCH 1 12 BRANCH 6 19 ATOM 19 C LIG 1 -1.983 -4.778 1.869 0.00 0.00 +0.375 C ATOM 20 O LIG 1 -3.118 -5.192 1.702 0.00 0.00 -0.242 OA BRANCH 19 21 ATOM 21 O LIG 1 -1.063 -5.426 2.639 0.00 0.00 -0.475 OA ATOM 22 H LIG 1 -0.213 -4.924 2.644 0.00 0.00 +0.296 HD ENDBRANCH 19 21 ENDBRANCH 6 19 BRANCH 8 23 ATOM 23 N LIG 1 -2.527 -0.831 -0.844 0.00 0.00 -0.324 N ATOM 24 H LIG 1 -2.375 0.155 -0.667 0.00 0.00 +0.148 HD BRANCH 23 25 ATOM 25 C LIG 1 -3.954 -1.124 -1.032 0.00 0.00 +0.072 C ATOM 26 C LIG 1 -4.742 -0.945 0.264 0.00 0.00 +0.028 C BRANCH 25 27 ATOM 27 C LIG 1 -4.152 -2.418 -1.780 0.00 0.00 +0.009 C ATOM 28 C LIG 1 -4.732 -3.673 -1.167 0.00 0.00 +0.005 C ATOM 29 C LIG 1 -5.536 -2.891 -2.166 0.00 0.00 +0.005 C ENDBRANCH 25 27 ENDBRANCH 23 25 ENDBRANCH 8 23 BRANCH 2 30 ATOM 30 C LIG 1 0.261 0.706 -1.098 0.00 0.00 +0.159 C BRANCH 30 31 ATOM 31 C LIG 1 -0.561 1.888 -0.625 0.00 0.00 -0.028 A ATOM 32 C LIG 1 -1.062 2.768 -1.599 0.00 0.00 +0.006 A ATOM 33 C LIG 1 -1.827 3.880 -1.239 0.00 0.00 +0.013 A ATOM 34 C LIG 1 -2.114 4.141 0.107 0.00 0.00 +0.055 A ATOM 35 C LIG 1 -1.602 3.276 1.083 0.00 0.00 +0.013 A ATOM 36 C LIG 1 -0.835 2.164 0.722 0.00 0.00 +0.006 A BRANCH 34 37 ATOM 37 C LIG 1 -2.920 5.356 0.501 0.00 0.00 +0.417 C ATOM 38 F LIG 1 -2.136 6.448 0.715 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -3.633 5.174 1.647 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -3.826 5.724 -0.447 0.00 0.00 -0.166 F ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 11