REMARK Name = BDB035292 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.313 -0.695 0.028 0.00 0.00 +0.031 A ATOM 2 N LIG 1 2.277 0.051 0.546 0.00 0.00 -0.353 N ATOM 3 H LIG 1 2.361 0.928 1.046 0.00 0.00 +0.166 HD ATOM 4 C LIG 1 1.085 -0.562 0.264 0.00 0.00 +0.113 A ATOM 5 C LIG 1 1.361 -1.717 -0.426 0.00 0.00 +0.010 A ATOM 6 C LIG 1 0.270 -2.542 -0.834 0.00 0.00 -0.018 A ATOM 7 C LIG 1 -0.983 -2.115 -0.557 0.00 0.00 +0.100 A ATOM 8 N LIG 1 -1.289 -0.918 0.133 0.00 0.00 -0.266 N ATOM 9 C LIG 1 -0.236 -0.094 0.620 0.00 0.00 +0.281 A ATOM 10 O LIG 1 -0.356 0.920 1.301 0.00 0.00 -0.265 OA ATOM 11 C LIG 1 2.759 -1.809 -0.584 0.00 0.00 +0.033 A ENDROOT BRANCH 8 12 ATOM 12 C LIG 1 -2.678 -0.584 0.356 0.00 0.00 +0.141 A ATOM 13 N LIG 1 -3.592 -1.553 0.078 0.00 0.00 -0.234 NA ATOM 14 C LIG 1 -4.915 -1.344 0.277 0.00 0.00 +0.047 A ATOM 15 C LIG 1 -5.378 -0.117 0.732 0.00 0.00 +0.032 A ATOM 16 C LIG 1 -4.474 0.914 0.991 0.00 0.00 -0.012 A ATOM 17 C LIG 1 -3.108 0.660 0.803 0.00 0.00 +0.055 A BRANCH 16 18 ATOM 18 C LIG 1 -4.947 2.229 1.458 0.00 0.00 -0.005 A ATOM 19 C LIG 1 -4.772 3.433 0.735 0.00 0.00 +0.047 A ATOM 20 C LIG 1 -5.181 4.660 1.284 0.00 0.00 +0.052 A ATOM 21 C LIG 1 -5.787 4.691 2.531 0.00 0.00 +0.124 A ATOM 22 F LIG 1 -6.185 5.862 3.043 0.00 0.00 -0.205 F ATOM 23 C LIG 1 -5.991 3.526 3.253 0.00 0.00 +0.039 A ATOM 24 C LIG 1 -5.570 2.305 2.723 0.00 0.00 +0.012 A BRANCH 19 25 ATOM 25 C LIG 1 -4.157 3.516 -0.615 0.00 0.00 +0.242 C ATOM 26 O LIG 1 -3.389 4.424 -0.906 0.00 0.00 -0.270 OA ATOM 27 N LIG 1 -4.529 2.584 -1.540 0.00 0.00 -0.325 N ATOM 28 H LIG 1 -5.214 1.863 -1.371 0.00 0.00 +0.145 HD ATOM 29 H LIG 1 -4.131 2.663 -2.467 0.00 0.00 +0.145 HD ENDBRANCH 19 25 ENDBRANCH 16 18 BRANCH 14 30 ATOM 30 C LIG 1 -5.875 -2.468 -0.030 0.00 0.00 +0.038 C ATOM 31 C LIG 1 -6.674 -3.109 1.082 0.00 0.00 +0.010 C ATOM 32 C LIG 1 -5.562 -3.873 0.430 0.00 0.00 +0.010 C ENDBRANCH 14 30 ENDBRANCH 8 12 BRANCH 6 33 ATOM 33 C LIG 1 0.586 -3.777 -1.576 0.00 0.00 +0.021 C ATOM 34 C LIG 1 1.284 -4.913 -0.867 0.00 0.00 +0.009 C ATOM 35 C LIG 1 -0.152 -5.060 -1.269 0.00 0.00 +0.009 C ENDBRANCH 6 33 BRANCH 1 36 ATOM 36 C LIG 1 4.740 -0.273 0.175 0.00 0.00 +0.137 C BRANCH 36 40 ATOM 37 C LIG 1 8.877 1.372 -0.363 0.00 0.00 +0.009 C ATOM 38 C LIG 1 7.349 1.345 -0.365 0.00 0.00 +0.000 C ATOM 39 C LIG 1 6.829 0.056 -1.029 0.00 0.00 +0.088 C ATOM 40 N LIG 1 5.364 -0.017 -1.128 0.00 0.00 -0.296 NA ATOM 41 C LIG 1 4.833 1.167 -1.819 0.00 0.00 +0.085 C ATOM 42 C LIG 1 5.270 2.498 -1.203 0.00 0.00 +0.016 C ATOM 43 C LIG 1 6.789 2.579 -1.081 0.00 0.00 +0.006 C ENDBRANCH 36 40 ENDBRANCH 1 36 TORSDOF 7