REMARK Name = BDB059858 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 3.298 -2.027 0.955 0.00 0.00 -0.316 N ATOM 2 C LIG 1 3.818 -1.024 0.156 0.00 0.00 +0.141 A ATOM 3 N LIG 1 5.131 -1.131 0.084 0.00 0.00 -0.235 NA ATOM 4 C LIG 1 5.474 -2.184 0.881 0.00 0.00 +0.143 A ATOM 5 C LIG 1 4.360 -2.755 1.450 0.00 0.00 +0.143 A ENDROOT BRANCH 2 6 ATOM 6 C LIG 1 3.028 -0.002 -0.524 0.00 0.00 +0.017 A ATOM 7 C LIG 1 2.710 -0.145 -1.878 0.00 0.00 +0.012 A ATOM 8 C LIG 1 1.938 0.821 -2.528 0.00 0.00 +0.013 A ATOM 9 C LIG 1 1.493 1.958 -1.839 0.00 0.00 +0.055 A ATOM 10 C LIG 1 1.835 2.107 -0.485 0.00 0.00 +0.013 A ATOM 11 C LIG 1 2.598 1.135 0.166 0.00 0.00 +0.012 A BRANCH 9 12 ATOM 12 C LIG 1 0.630 2.990 -2.520 0.00 0.00 +0.417 C ATOM 13 F LIG 1 0.716 2.964 -3.879 0.00 0.00 -0.166 F ATOM 14 F LIG 1 -0.690 2.821 -2.227 0.00 0.00 -0.166 F ATOM 15 F LIG 1 0.935 4.264 -2.150 0.00 0.00 -0.166 F ENDBRANCH 9 12 ENDBRANCH 2 6 BRANCH 5 16 ATOM 16 C LIG 1 4.239 -3.889 2.380 0.00 0.00 +0.434 C ATOM 17 F LIG 1 3.624 -3.526 3.533 0.00 0.00 -0.164 F ATOM 18 F LIG 1 3.506 -4.896 1.843 0.00 0.00 -0.164 F ATOM 19 F LIG 1 5.443 -4.411 2.719 0.00 0.00 -0.164 F ENDBRANCH 5 16 BRANCH 1 20 ATOM 20 C LIG 1 1.879 -2.239 1.244 0.00 0.00 +0.162 C BRANCH 20 22 ATOM 21 C LIG 1 -0.128 -2.112 -0.305 0.00 0.00 +0.125 A ATOM 22 C LIG 1 1.095 -2.716 0.042 0.00 0.00 +0.014 A ATOM 23 C LIG 1 1.555 -3.800 -0.729 0.00 0.00 +0.009 A ATOM 24 C LIG 1 0.831 -4.254 -1.832 0.00 0.00 +0.001 A ATOM 25 C LIG 1 -0.376 -3.648 -2.165 0.00 0.00 +0.004 A ATOM 26 C LIG 1 -0.860 -2.588 -1.398 0.00 0.00 +0.046 A BRANCH 21 27 ATOM 27 O LIG 1 -0.579 -1.108 0.511 0.00 0.00 -0.492 OA BRANCH 27 28 ATOM 28 C LIG 1 -1.262 -0.023 -0.126 0.00 0.00 +0.229 C BRANCH 28 29 ATOM 29 C LIG 1 -2.741 -0.052 0.253 0.00 0.00 +0.041 C BRANCH 29 30 ATOM 30 C LIG 1 -3.541 1.099 -0.365 0.00 0.00 +0.007 C BRANCH 30 32 ATOM 31 C LIG 1 -2.492 2.942 1.066 0.00 0.00 +0.008 C ATOM 32 C LIG 1 -3.789 2.297 0.576 0.00 0.00 -0.003 C BRANCH 32 33 ATOM 33 C LIG 1 -4.668 3.333 -0.147 0.00 0.00 +0.123 C BRANCH 33 34 ATOM 34 C LIG 1 -5.253 4.344 0.800 0.00 0.00 +0.305 C ATOM 35 O LIG 1 -4.911 5.508 0.916 0.00 0.00 -0.251 OA BRANCH 34 36 ATOM 36 O LIG 1 -6.240 3.836 1.562 0.00 0.00 -0.481 OA ATOM 37 H LIG 1 -6.512 4.587 2.128 0.00 0.00 +0.295 HD ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 32 33 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 28 29 ENDBRANCH 27 28 ENDBRANCH 21 27 ENDBRANCH 20 22 ENDBRANCH 1 20 TORSDOF 13