REMARK Name = BDB017722 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.758 -1.242 0.536 0.00 0.00 -0.029 A ATOM 2 C LIG 1 1.498 -1.225 -0.655 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.836 -0.815 -0.653 0.00 0.00 +0.054 A ATOM 4 C LIG 1 3.481 -0.424 0.529 0.00 0.00 +0.055 A ATOM 5 C LIG 1 4.903 -0.015 0.458 0.00 0.00 +0.048 A ATOM 6 N LIG 1 5.571 0.347 1.619 0.00 0.00 -0.343 N ATOM 7 H LIG 1 4.966 0.569 2.410 0.00 0.00 +0.146 HD ATOM 8 C LIG 1 6.843 1.049 1.578 0.00 0.00 +0.102 C ATOM 9 C LIG 1 7.714 0.430 0.490 0.00 0.00 +0.023 C ATOM 10 C LIG 1 6.981 0.403 -0.857 0.00 0.00 +0.044 C ATOM 11 C LIG 1 5.535 -0.003 -0.733 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.835 -0.394 -1.985 0.00 0.00 +0.254 A ATOM 13 O LIG 1 5.392 -0.364 -3.078 0.00 0.00 -0.268 OA ATOM 14 C LIG 1 2.728 -0.448 1.709 0.00 0.00 +0.135 A ATOM 15 F LIG 1 3.268 -0.065 2.878 0.00 0.00 -0.205 F ATOM 16 N LIG 1 3.533 -0.789 -1.865 0.00 0.00 -0.322 N ATOM 17 H LIG 1 3.075 -1.054 -2.727 0.00 0.00 +0.169 HD ATOM 18 C LIG 1 1.391 -0.853 1.721 0.00 0.00 +0.044 A ENDROOT BRANCH 1 19 ATOM 19 C LIG 1 -0.685 -1.702 0.546 0.00 0.00 +0.119 C BRANCH 19 23 ATOM 20 N LIG 1 -4.251 0.194 -0.300 0.00 0.00 -0.326 N ATOM 21 C LIG 1 -3.131 0.711 0.505 0.00 0.00 +0.120 C ATOM 22 C LIG 1 -1.766 0.395 -0.152 0.00 0.00 +0.103 C ATOM 23 N LIG 1 -1.512 -1.029 -0.466 0.00 0.00 -0.295 NA ATOM 24 C LIG 1 -2.779 -1.767 -0.661 0.00 0.00 +0.103 C ATOM 25 C LIG 1 -3.934 -0.908 -1.225 0.00 0.00 +0.120 C BRANCH 20 29 ATOM 26 C LIG 1 -8.005 2.017 -0.343 0.00 0.00 +0.140 A ATOM 27 N LIG 1 -7.661 1.228 -1.383 0.00 0.00 -0.243 NA ATOM 28 C LIG 1 -6.428 0.657 -1.330 0.00 0.00 +0.135 A ATOM 29 C LIG 1 -5.489 0.811 -0.302 0.00 0.00 +0.048 A ATOM 30 C LIG 1 -5.910 1.639 0.747 0.00 0.00 +0.027 A ATOM 31 C LIG 1 -7.168 2.249 0.736 0.00 0.00 +0.041 A BRANCH 26 33 ATOM 32 N LIG 1 -10.357 3.120 -0.411 0.00 0.00 -0.189 NA ATOM 33 C LIG 1 -9.310 2.615 -0.404 0.00 0.00 +0.119 C ENDBRANCH 26 33 ENDBRANCH 20 29 ENDBRANCH 19 23 ENDBRANCH 1 19 TORSDOF 4