REMARK Name = BDB037884 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.279 -0.103 1.031 0.00 0.00 +0.074 A ATOM 2 N LIG 1 1.419 -0.325 2.052 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.100 -0.423 1.758 0.00 0.00 +0.134 A ATOM 4 C LIG 1 -0.458 -0.323 0.479 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.445 -0.097 -0.573 0.00 0.00 -0.003 A ATOM 6 C LIG 1 1.821 -0.002 -0.281 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 6.439 0.154 2.196 0.00 0.00 +0.158 A ATOM 8 C LIG 1 5.529 -0.632 2.905 0.00 0.00 +0.166 A ATOM 9 F LIG 1 5.936 -1.334 3.974 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.187 -0.713 2.529 0.00 0.00 +0.055 A ATOM 11 C LIG 1 3.701 -0.008 1.414 0.00 0.00 +0.038 A ATOM 12 C LIG 1 4.630 0.781 0.718 0.00 0.00 +0.136 A ATOM 13 F LIG 1 4.247 1.507 -0.344 0.00 0.00 -0.205 F ATOM 14 C LIG 1 5.977 0.866 1.093 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 8.665 0.973 1.984 0.00 0.00 +0.277 C ATOM 16 O LIG 1 7.725 0.149 2.661 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.835 -0.472 0.223 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -2.177 -1.884 -0.106 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.723 -2.078 -0.355 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -4.379 -0.699 -0.575 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -4.130 0.279 0.579 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -2.738 0.143 1.201 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -3.894 -2.865 -1.608 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -4.869 -2.905 -1.895 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -3.608 -3.830 -1.411 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -4.325 -2.885 0.846 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -5.853 -2.980 0.871 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -6.409 -1.781 1.158 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -6.204 -3.809 1.896 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -3.763 -4.222 0.819 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -4.177 -4.711 1.559 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 -0.017 0.049 -2.006 0.00 0.00 +0.159 C BRANCH 32 33 ATOM 33 N LIG 1 0.320 1.359 -2.562 0.00 0.00 -0.340 N ATOM 34 C LIG 1 -0.362 2.531 -2.326 0.00 0.00 +0.086 A ATOM 35 C LIG 1 0.265 3.529 -3.061 0.00 0.00 +0.092 A ATOM 36 N LIG 1 -0.145 4.815 -3.058 0.00 0.00 -0.234 NA ATOM 37 C LIG 1 -1.215 5.025 -2.277 0.00 0.00 +0.221 A ATOM 38 N LIG 1 -1.892 4.126 -1.535 0.00 0.00 -0.242 NA ATOM 39 C LIG 1 1.339 2.935 -3.764 0.00 0.00 +0.047 A ATOM 40 C LIG 1 -1.463 2.848 -1.552 0.00 0.00 +0.140 A ATOM 41 C LIG 1 1.345 1.592 -3.452 0.00 0.00 +0.089 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9