REMARK Name = BDB024132 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.185 -0.707 -0.075 0.00 0.00 +0.171 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.311 -1.920 -0.986 0.00 0.00 -0.022 A ATOM 3 C LIG 1 -1.736 -3.149 -0.457 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.861 -4.273 -1.277 0.00 0.00 +0.000 A ATOM 5 C LIG 1 -1.572 -4.181 -2.636 0.00 0.00 +0.000 A ATOM 6 C LIG 1 -1.167 -2.964 -3.180 0.00 0.00 +0.000 A ATOM 7 C LIG 1 -1.043 -1.839 -2.363 0.00 0.00 +0.005 A ENDBRANCH 1 2 BRANCH 1 8 ATOM 8 C LIG 1 0.138 0.070 -0.344 0.00 0.00 +0.240 C ATOM 9 N LIG 1 1.241 -0.559 0.194 0.00 0.00 -0.269 N ATOM 10 H LIG 1 1.131 -1.469 0.623 0.00 0.00 +0.156 HD ATOM 11 O LIG 1 0.154 1.128 -0.973 0.00 0.00 -0.273 OA BRANCH 9 12 ATOM 12 C LIG 1 2.573 -0.152 0.167 0.00 0.00 +0.125 A ATOM 13 N LIG 1 3.408 -1.031 0.755 0.00 0.00 -0.240 NA ATOM 14 C LIG 1 4.730 -0.721 0.779 0.00 0.00 +0.121 A ATOM 15 C LIG 1 5.279 0.441 0.245 0.00 0.00 +0.003 A ATOM 16 C LIG 1 4.387 1.329 -0.354 0.00 0.00 +0.013 A ATOM 17 C LIG 1 3.020 1.034 -0.394 0.00 0.00 +0.044 A BRANCH 15 18 ATOM 18 C LIG 1 6.702 0.723 0.294 0.00 0.00 +0.021 A ATOM 19 C LIG 1 7.591 0.199 1.209 0.00 0.00 +0.122 A ATOM 20 N LIG 1 8.822 0.728 0.912 0.00 0.00 -0.211 N ATOM 21 N LIG 1 8.789 1.572 -0.147 0.00 0.00 -0.174 NA ATOM 22 C LIG 1 7.504 1.565 -0.513 0.00 0.00 +0.143 A BRANCH 20 23 ATOM 23 C LIG 1 10.068 0.456 1.621 0.00 0.00 +0.464 C ATOM 24 F LIG 1 9.973 0.815 2.930 0.00 0.00 -0.183 F ATOM 25 F LIG 1 10.356 -0.874 1.606 0.00 0.00 -0.183 F ENDBRANCH 20 23 ENDBRANCH 15 18 ENDBRANCH 9 12 ENDBRANCH 1 8 BRANCH 1 26 ATOM 26 N LIG 1 -2.362 0.171 -0.247 0.00 0.00 -0.301 NA ATOM 27 H LIG 1 -2.232 0.688 -1.119 0.00 0.00 +0.123 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.521 1.122 0.860 0.00 0.00 +0.089 C BRANCH 28 30 ATOM 29 C LIG 1 -3.763 3.150 1.720 0.00 0.00 +0.014 C ATOM 30 C LIG 1 -3.728 2.067 0.634 0.00 0.00 +0.030 C BRANCH 30 31 ATOM 31 C LIG 1 -5.060 1.331 0.567 0.00 0.00 -0.043 A ATOM 32 C LIG 1 -5.816 1.371 -0.616 0.00 0.00 +0.005 A ATOM 33 C LIG 1 -7.038 0.699 -0.705 0.00 0.00 +0.019 A ATOM 34 C LIG 1 -7.524 -0.022 0.388 0.00 0.00 +0.052 A ATOM 35 C LIG 1 -6.781 -0.067 1.571 0.00 0.00 +0.019 A ATOM 36 C LIG 1 -5.558 0.604 1.659 0.00 0.00 +0.005 A BRANCH 34 37 ATOM 37 C LIG 1 -8.776 -0.712 0.298 0.00 0.00 +0.099 C ATOM 38 N LIG 1 -9.792 -1.270 0.228 0.00 0.00 -0.191 NA ENDBRANCH 34 37 ENDBRANCH 30 31 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 1 26 TORSDOF 10