REMARK Name = BDB027454 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.885 1.455 -0.020 0.00 0.00 +0.053 A ATOM 2 C LIG 1 -2.237 1.532 -0.377 0.00 0.00 -0.004 A ATOM 3 C LIG 1 -2.930 2.737 -0.161 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -2.288 3.838 0.409 0.00 0.00 +0.045 A ATOM 5 N LIG 1 -0.983 3.770 0.758 0.00 0.00 -0.258 NA ATOM 6 C LIG 1 -0.328 2.604 0.547 0.00 0.00 +0.134 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 1.875 -0.781 -1.375 0.00 0.00 +0.077 C ATOM 8 C LIG 1 0.854 0.406 -1.318 0.00 0.00 +0.133 C ATOM 9 N LIG 1 -0.164 0.267 -0.239 0.00 0.00 -0.326 N ATOM 10 C LIG 1 0.315 -0.357 1.002 0.00 0.00 +0.105 C ATOM 11 C LIG 1 0.794 -1.783 0.728 0.00 0.00 +0.021 C ATOM 12 C LIG 1 1.253 -2.029 -0.714 0.00 0.00 +0.031 C BRANCH 7 15 ATOM 13 N LIG 1 5.312 -0.697 -0.338 0.00 0.00 -0.271 N ATOM 14 N LIG 1 4.298 -1.237 -1.036 0.00 0.00 -0.174 NA ATOM 15 C LIG 1 3.237 -0.456 -0.750 0.00 0.00 +0.084 A ATOM 16 C LIG 1 3.616 0.603 0.116 0.00 0.00 +0.046 A ATOM 17 C LIG 1 4.953 0.412 0.366 0.00 0.00 +0.108 A BRANCH 13 19 ATOM 18 C LIG 1 7.433 -0.820 -1.584 0.00 0.00 +0.029 C ATOM 19 C LIG 1 6.628 -1.304 -0.391 0.00 0.00 +0.140 C ENDBRANCH 13 19 ENDBRANCH 7 15 BRANCH 7 20 ATOM 20 N LIG 1 2.154 -1.126 -2.801 0.00 0.00 -0.319 NA ATOM 21 H LIG 1 2.661 -0.343 -3.214 0.00 0.00 +0.119 HD ATOM 22 H LIG 1 2.869 -1.863 -2.759 0.00 0.00 +0.119 HD ENDBRANCH 7 20 ENDBRANCH 1 9 BRANCH 4 23 ATOM 23 C LIG 1 -3.032 5.132 0.634 0.00 0.00 +0.038 C ATOM 24 C LIG 1 -4.162 5.192 1.638 0.00 0.00 +0.010 C ATOM 25 C LIG 1 -2.866 5.884 1.935 0.00 0.00 +0.010 C ENDBRANCH 4 23 BRANCH 2 26 ATOM 26 C LIG 1 -2.967 0.349 -0.965 0.00 0.00 +0.160 C BRANCH 26 27 ATOM 27 N LIG 1 -3.244 -0.692 0.014 0.00 0.00 -0.325 N ATOM 28 C LIG 1 -3.044 -2.043 -0.150 0.00 0.00 +0.074 A ATOM 29 C LIG 1 -3.486 -2.606 1.047 0.00 0.00 +0.128 A ATOM 30 C LIG 1 -3.398 -4.006 1.230 0.00 0.00 +0.144 A ATOM 31 N LIG 1 -2.913 -4.776 0.225 0.00 0.00 -0.238 NA ATOM 32 C LIG 1 -2.495 -4.185 -0.920 0.00 0.00 +0.115 A ATOM 33 N LIG 1 -3.982 -1.631 1.892 0.00 0.00 -0.232 NA ATOM 34 C LIG 1 -2.530 -2.823 -1.184 0.00 0.00 +0.048 A ATOM 35 C LIG 1 -3.825 -0.501 1.241 0.00 0.00 +0.200 A BRANCH 30 36 ATOM 36 N LIG 1 -3.819 -4.643 2.392 0.00 0.00 -0.341 N ATOM 37 H LIG 1 -4.058 -5.608 2.207 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 -4.481 -4.083 2.917 0.00 0.00 +0.144 HD ENDBRANCH 30 36 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 8