REMARK Name = BDB035718 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.397 0.490 0.801 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.765 0.814 1.508 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.944 1.087 2.681 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.874 0.779 0.547 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.217 1.024 0.772 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.092 0.928 -0.318 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.584 0.577 -1.592 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.214 0.330 -1.804 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.369 0.441 -0.703 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.109 0.242 -0.608 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.141 -0.026 0.957 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.799 0.064 0.502 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.714 0.405 1.330 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.988 0.655 2.675 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.290 0.573 3.168 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.347 0.239 2.321 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.342 -2.225 0.524 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -6.757 -0.738 0.466 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -5.325 -0.411 -0.071 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -5.316 -1.897 -0.584 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.348 0.635 -1.255 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.829 1.915 -1.228 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -6.445 2.600 -0.126 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.583 2.433 -2.462 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -4.977 1.534 -3.203 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.822 0.402 -2.440 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -6.989 -4.523 0.102 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -7.386 -3.162 0.190 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.677 -0.041 -3.160 0.00 0.00 +0.418 C ATOM 30 F LIG 1 1.012 -1.228 -3.143 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.635 -0.159 -4.119 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.788 0.878 -3.627 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.576 1.167 -0.134 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.303 -0.102 -0.196 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.849 -0.759 0.440 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.745 0.068 0.051 0.00 0.00 +0.017 C ATOM 37 C LIG 1 8.346 -1.355 0.259 0.00 0.00 +0.022 C ATOM 38 C LIG 1 9.089 -0.790 1.488 0.00 0.00 +0.004 C ATOM 39 C LIG 1 8.005 0.305 1.566 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.472 0.929 -0.967 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8