REMARK Name = BDB049650 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.542 -0.316 0.439 0.00 0.00 -0.278 N ATOM 2 C LIG 1 1.676 -1.152 0.444 0.00 0.00 +0.307 C ATOM 3 N LIG 1 2.843 -0.531 0.053 0.00 0.00 -0.269 N ATOM 4 H LIG 1 2.855 0.471 0.166 0.00 0.00 +0.156 HD ATOM 5 O LIG 1 1.607 -2.331 0.785 0.00 0.00 -0.252 OA ENDROOT BRANCH 3 6 ATOM 6 C LIG 1 4.096 -1.131 -0.185 0.00 0.00 +0.038 A ATOM 7 C LIG 1 5.198 -0.273 -0.328 0.00 0.00 +0.036 A ATOM 8 C LIG 1 6.488 -0.777 -0.576 0.00 0.00 +0.059 A ATOM 9 C LIG 1 6.659 -2.160 -0.699 0.00 0.00 +0.050 A ATOM 10 C LIG 1 5.562 -3.005 -0.569 0.00 0.00 +0.126 A ATOM 11 F LIG 1 5.740 -4.326 -0.695 0.00 0.00 -0.205 F ATOM 12 C LIG 1 4.288 -2.506 -0.316 0.00 0.00 +0.061 A BRANCH 8 13 ATOM 13 C LIG 1 7.658 0.158 -0.745 0.00 0.00 +0.418 C ATOM 14 F LIG 1 8.844 -0.393 -0.364 0.00 0.00 -0.166 F ATOM 15 F LIG 1 7.821 0.547 -2.039 0.00 0.00 -0.166 F ATOM 16 F LIG 1 7.531 1.306 -0.022 0.00 0.00 -0.166 F ENDBRANCH 8 13 ENDBRANCH 3 6 BRANCH 1 20 ATOM 17 N LIG 1 -3.586 -1.434 0.863 0.00 0.00 -0.297 NA ATOM 18 C LIG 1 -2.720 -2.314 0.076 0.00 0.00 +0.086 C ATOM 19 C LIG 1 -1.396 -1.675 -0.342 0.00 0.00 +0.038 C ATOM 20 C LIG 1 -0.739 -0.949 0.839 0.00 0.00 +0.080 C ATOM 21 C LIG 1 -1.719 0.007 1.547 0.00 0.00 +0.038 C ATOM 22 C LIG 1 -3.134 -0.054 0.968 0.00 0.00 +0.086 C BRANCH 17 23 ATOM 23 C LIG 1 -5.017 -1.607 0.603 0.00 0.00 +0.139 C BRANCH 23 26 ATOM 24 C LIG 1 -6.839 0.914 0.547 0.00 0.00 +0.150 C ATOM 25 N LIG 1 -6.321 0.217 -0.606 0.00 0.00 -0.336 N ATOM 26 C LIG 1 -5.520 -0.904 -0.616 0.00 0.00 +0.052 A ATOM 27 C LIG 1 -5.365 -1.187 -1.960 0.00 0.00 +0.135 A ATOM 28 N LIG 1 -6.010 -0.268 -2.745 0.00 0.00 -0.244 NA ATOM 29 C LIG 1 -6.578 0.562 -1.903 0.00 0.00 +0.199 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 1 20 BRANCH 1 30 ATOM 30 C LIG 1 0.471 0.875 -0.422 0.00 0.00 +0.144 C BRANCH 30 31 ATOM 31 C LIG 1 1.156 2.105 0.138 0.00 0.00 -0.030 A ATOM 32 C LIG 1 1.637 3.082 -0.750 0.00 0.00 +0.005 A ATOM 33 C LIG 1 2.276 4.227 -0.272 0.00 0.00 +0.000 A ATOM 34 C LIG 1 2.435 4.416 1.098 0.00 0.00 +0.000 A ATOM 35 C LIG 1 1.950 3.464 1.992 0.00 0.00 +0.000 A ATOM 36 C LIG 1 1.309 2.319 1.516 0.00 0.00 +0.005 A ENDBRANCH 30 31 ENDBRANCH 1 30 TORSDOF 7