REMARK Name = BDB033546 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.171 0.663 -0.014 0.00 0.00 -0.323 N ATOM 2 C LIG 1 1.204 0.540 -0.083 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.463 -0.727 0.427 0.00 0.00 +0.090 A ATOM 4 C LIG 1 2.782 -1.195 0.516 0.00 0.00 +0.038 A ATOM 5 C LIG 1 3.828 -0.366 0.087 0.00 0.00 -0.011 A ATOM 6 C LIG 1 3.547 0.905 -0.427 0.00 0.00 +0.011 A ATOM 7 N LIG 1 0.305 -1.358 0.780 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 2.233 1.384 -0.522 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -0.679 -0.527 0.491 0.00 0.00 +0.134 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 5.199 -0.824 0.166 0.00 0.00 +0.047 A ATOM 11 C LIG 1 5.832 -1.228 1.322 0.00 0.00 +0.142 A ATOM 12 C LIG 1 5.434 -1.352 2.737 0.00 0.00 +0.090 C ATOM 13 O LIG 1 7.116 -1.572 1.031 0.00 0.00 -0.359 OA ATOM 14 N LIG 1 7.353 -1.393 -0.318 0.00 0.00 -0.083 NA ATOM 15 C LIG 1 6.199 -0.951 -0.835 0.00 0.00 +0.088 A ATOM 16 C LIG 1 6.098 -0.671 -2.286 0.00 0.00 +0.070 C ENDBRANCH 5 10 BRANCH 9 17 ATOM 17 C LIG 1 -2.154 -0.817 0.663 0.00 0.00 +0.166 C ATOM 18 N LIG 1 -2.410 -2.250 0.786 0.00 0.00 -0.243 N ATOM 19 C LIG 1 -2.691 -2.572 2.135 0.00 0.00 +0.310 C ATOM 20 O LIG 1 -2.942 -3.662 2.626 0.00 0.00 -0.252 OA ATOM 21 N LIG 1 -2.703 -1.375 2.868 0.00 0.00 -0.286 N ATOM 22 C LIG 1 -3.209 -1.284 4.215 0.00 0.00 +0.133 C ATOM 23 C LIG 1 -2.677 -0.242 1.982 0.00 0.00 +0.139 C BRANCH 18 24 ATOM 24 C LIG 1 -2.338 -3.161 -0.308 0.00 0.00 +0.041 A ATOM 25 C LIG 1 -2.042 -2.708 -1.605 0.00 0.00 +0.065 A ATOM 26 C LIG 1 -1.976 -3.598 -2.676 0.00 0.00 +0.160 A ATOM 27 F LIG 1 -1.695 -3.126 -3.900 0.00 0.00 -0.202 F ATOM 28 C LIG 1 -2.202 -4.952 -2.487 0.00 0.00 +0.159 A ATOM 29 F LIG 1 -2.141 -5.802 -3.521 0.00 0.00 -0.202 F ATOM 30 C LIG 1 -2.495 -5.430 -1.221 0.00 0.00 +0.043 A ATOM 31 C LIG 1 -2.562 -4.539 -0.141 0.00 0.00 +0.026 A ENDBRANCH 18 24 ENDBRANCH 9 17 BRANCH 1 35 ATOM 32 C LIG 1 -2.182 4.221 -1.258 0.00 0.00 +0.118 C ATOM 33 C LIG 1 -1.866 3.200 -2.363 0.00 0.00 +0.033 C ATOM 34 C LIG 1 -0.898 2.090 -1.927 0.00 0.00 +0.027 C ATOM 35 C LIG 1 -0.955 1.829 -0.417 0.00 0.00 +0.089 C ATOM 36 C LIG 1 -0.636 3.091 0.411 0.00 0.00 +0.027 C ATOM 37 C LIG 1 -0.978 4.390 -0.329 0.00 0.00 +0.033 C BRANCH 32 39 ATOM 38 C LIG 1 -4.019 4.731 0.175 0.00 0.00 +0.194 C ATOM 39 O LIG 1 -3.306 3.716 -0.523 0.00 0.00 -0.380 OA ENDBRANCH 32 39 ENDBRANCH 1 35 TORSDOF 5