REMARK Name = BDB027352 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.480 -0.166 0.177 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.452 -0.904 -0.569 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.013 -2.134 -1.077 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -1.216 -2.674 -0.900 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -2.089 -1.966 -0.158 0.00 0.00 +0.072 A ATOM 6 C LIG 1 -1.762 -0.722 0.379 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.415 -2.582 0.008 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -3.984 -2.888 1.271 0.00 0.00 +0.029 A ATOM 9 C LIG 1 -5.279 -3.445 1.329 0.00 0.00 +0.051 A ATOM 10 C LIG 1 -5.982 -3.726 0.163 0.00 0.00 +0.159 A ATOM 11 F LIG 1 -7.207 -4.262 0.249 0.00 0.00 -0.202 F ATOM 12 C LIG 1 -5.419 -3.457 -1.073 0.00 0.00 +0.159 A ATOM 13 F LIG 1 -6.094 -3.733 -2.197 0.00 0.00 -0.202 F ATOM 14 C LIG 1 -4.152 -2.893 -1.156 0.00 0.00 +0.051 A BRANCH 8 15 ATOM 15 C LIG 1 -3.262 -2.624 2.572 0.00 0.00 +0.372 C ATOM 16 F LIG 1 -3.348 -1.318 2.952 0.00 0.00 -0.204 F ATOM 17 F LIG 1 -1.934 -2.918 2.541 0.00 0.00 -0.204 F ENDBRANCH 8 15 ENDBRANCH 5 7 BRANCH 2 18 ATOM 18 N LIG 1 1.758 -0.513 -0.839 0.00 0.00 -0.327 N ATOM 19 C LIG 1 2.739 -0.653 0.252 0.00 0.00 +0.129 C ATOM 20 C LIG 1 4.132 -0.018 -0.099 0.00 0.00 +0.064 C ATOM 21 C LIG 1 4.387 -0.248 -1.612 0.00 0.00 +0.028 C ATOM 22 C LIG 1 3.301 0.350 -2.519 0.00 0.00 +0.021 C ATOM 23 C LIG 1 1.952 0.544 -1.825 0.00 0.00 +0.105 C BRANCH 20 24 ATOM 24 N LIG 1 4.122 1.455 0.109 0.00 0.00 -0.321 NA ATOM 25 H LIG 1 3.855 1.715 1.054 0.00 0.00 +0.119 HD ATOM 26 H LIG 1 5.030 1.865 -0.106 0.00 0.00 +0.119 HD ENDBRANCH 20 24 BRANCH 20 27 ATOM 27 C LIG 1 5.279 -0.688 0.730 0.00 0.00 +0.202 C BRANCH 27 28 ATOM 28 C LIG 1 5.143 -0.515 2.248 0.00 0.00 +0.371 C ATOM 29 F LIG 1 6.180 -1.157 2.851 0.00 0.00 -0.206 F ATOM 30 F LIG 1 4.013 -1.103 2.708 0.00 0.00 -0.206 F ENDBRANCH 27 28 BRANCH 27 31 ATOM 31 O LIG 1 5.393 -2.085 0.399 0.00 0.00 -0.384 OA ATOM 32 H LIG 1 5.942 -2.504 1.090 0.00 0.00 +0.210 HD ENDBRANCH 27 31 ENDBRANCH 20 27 ENDBRANCH 2 18 BRANCH 1 33 ATOM 33 C LIG 1 -0.140 1.150 0.835 0.00 0.00 +0.161 C BRANCH 33 38 ATOM 34 C LIG 1 -2.715 4.644 -1.329 0.00 0.00 +0.147 A ATOM 35 C LIG 1 -2.333 3.777 -0.291 0.00 0.00 +0.147 A ATOM 36 N LIG 1 -2.792 3.611 1.001 0.00 0.00 -0.231 NA ATOM 37 C LIG 1 -2.043 2.652 1.501 0.00 0.00 +0.202 A ATOM 38 N LIG 1 -1.131 2.185 0.590 0.00 0.00 -0.310 N ATOM 39 C LIG 1 -1.283 2.913 -0.558 0.00 0.00 +0.166 A ATOM 40 N LIG 1 -0.579 2.821 -1.698 0.00 0.00 -0.216 NA ATOM 41 C LIG 1 -1.030 3.700 -2.614 0.00 0.00 +0.225 A ATOM 42 N LIG 1 -2.032 4.598 -2.495 0.00 0.00 -0.219 NA BRANCH 34 43 ATOM 43 N LIG 1 -3.748 5.565 -1.209 0.00 0.00 -0.341 N ATOM 44 H LIG 1 -3.981 5.788 -0.248 0.00 0.00 +0.144 HD ATOM 45 H LIG 1 -3.658 6.328 -1.866 0.00 0.00 +0.144 HD ENDBRANCH 34 43 ENDBRANCH 33 38 ENDBRANCH 1 33 TORSDOF 10