REMARK Name = BDB031909 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.015 2.419 -0.895 0.00 0.00 -0.041 A ATOM 2 C LIG 1 2.273 2.126 -2.055 0.00 0.00 +0.031 A ATOM 3 C LIG 1 1.005 1.551 -1.913 0.00 0.00 +0.068 A ATOM 4 C LIG 1 0.432 1.263 -0.682 0.00 0.00 +0.041 A ATOM 5 C LIG 1 -0.844 0.689 -0.987 0.00 0.00 +0.152 A ATOM 6 N LIG 1 -1.041 0.635 -2.308 0.00 0.00 -0.158 NA ATOM 7 C LIG 1 1.158 1.571 0.482 0.00 0.00 +0.014 A ATOM 8 N LIG 1 0.077 1.156 -2.834 0.00 0.00 -0.275 N ATOM 9 H LIG 1 0.149 1.215 -3.843 0.00 0.00 +0.189 HD ATOM 10 C LIG 1 2.431 2.148 0.355 0.00 0.00 +0.005 A ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 5.299 -1.364 0.629 0.00 0.00 +0.120 A ATOM 12 C LIG 1 5.013 -0.226 -0.141 0.00 0.00 +0.052 A ATOM 13 C LIG 1 5.683 0.960 0.120 0.00 0.00 -0.007 A ATOM 14 C LIG 1 5.633 2.332 -0.492 0.00 0.00 +0.081 C ATOM 15 C LIG 1 4.388 3.045 -0.981 0.00 0.00 +0.040 C ATOM 16 C LIG 1 6.684 3.109 0.267 0.00 0.00 +0.228 C ATOM 17 N LIG 1 7.220 2.252 1.212 0.00 0.00 -0.284 N ATOM 18 H LIG 1 7.950 2.532 1.849 0.00 0.00 +0.155 HD ATOM 19 O LIG 1 6.984 4.274 0.066 0.00 0.00 -0.274 OA ATOM 20 C LIG 1 5.420 2.531 -1.965 0.00 0.00 +0.031 C ATOM 21 C LIG 1 6.646 0.982 1.138 0.00 0.00 +0.038 A ATOM 22 C LIG 1 6.956 -0.116 1.912 0.00 0.00 +0.027 A ATOM 23 C LIG 1 6.266 -1.304 1.649 0.00 0.00 +0.047 A BRANCH 11 25 ATOM 24 C LIG 1 4.776 -3.647 1.057 0.00 0.00 +0.277 C ATOM 25 O LIG 1 4.572 -2.472 0.284 0.00 0.00 -0.495 OA ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 5 26 ATOM 26 N LIG 1 -1.689 0.280 -0.011 0.00 0.00 -0.293 N ATOM 27 H LIG 1 -1.393 0.394 0.957 0.00 0.00 +0.154 HD BRANCH 26 28 ATOM 28 C LIG 1 -2.970 -0.312 -0.048 0.00 0.00 +0.095 A ATOM 29 C LIG 1 -3.626 -0.631 1.156 0.00 0.00 +0.237 A ATOM 30 N LIG 1 -4.850 -1.192 1.251 0.00 0.00 -0.207 NA ATOM 31 C LIG 1 -5.483 -1.463 0.086 0.00 0.00 +0.129 A ATOM 32 C LIG 1 -4.927 -1.202 -1.162 0.00 0.00 +0.035 A ATOM 33 C LIG 1 -3.659 -0.619 -1.221 0.00 0.00 +0.031 A BRANCH 31 34 ATOM 34 C LIG 1 -6.843 -2.086 0.210 0.00 0.00 +0.263 C ATOM 35 N LIG 1 -7.760 -1.768 -0.783 0.00 0.00 -0.305 N ATOM 36 H LIG 1 -7.571 -0.961 -1.365 0.00 0.00 +0.149 HD ATOM 37 O LIG 1 -7.120 -2.829 1.147 0.00 0.00 -0.269 OA BRANCH 35 38 ATOM 38 C LIG 1 -9.161 -2.155 -0.641 0.00 0.00 +0.176 C BRANCH 38 39 ATOM 39 C LIG 1 -10.026 -1.075 0.008 0.00 0.00 +0.358 C ATOM 40 F LIG 1 -10.019 0.033 -0.782 0.00 0.00 -0.208 F ATOM 41 F LIG 1 -9.531 -0.697 1.209 0.00 0.00 -0.208 F ENDBRANCH 38 39 ENDBRANCH 35 38 ENDBRANCH 31 34 BRANCH 29 42 ATOM 42 O LIG 1 -2.930 -0.327 2.321 0.00 0.00 -0.478 OA ATOM 43 C LIG 1 -3.640 -0.697 3.501 0.00 0.00 +0.279 C ENDBRANCH 29 42 ENDBRANCH 26 28 ENDBRANCH 5 26 TORSDOF 8