REMARK Name = BDB051092 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.673 0.479 0.222 0.00 0.00 +0.072 A ATOM 2 C LIG 1 1.366 -0.818 0.618 0.00 0.00 +0.135 A ATOM 3 F LIG 1 0.334 -1.064 1.437 0.00 0.00 -0.205 F ATOM 4 C LIG 1 2.131 -1.888 0.163 0.00 0.00 +0.039 A ATOM 5 C LIG 1 3.226 -1.654 -0.672 0.00 0.00 +0.007 A ATOM 6 C LIG 1 3.578 -0.345 -1.043 0.00 0.00 -0.041 A ATOM 7 C LIG 1 2.782 0.721 -0.598 0.00 0.00 +0.020 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -5.672 0.142 -0.860 0.00 0.00 +0.403 C ATOM 9 N LIG 1 -4.502 0.822 -0.673 0.00 0.00 -0.266 N ATOM 10 C LIG 1 -3.536 0.705 0.405 0.00 0.00 +0.121 C ATOM 11 C LIG 1 -2.565 1.491 -0.513 0.00 0.00 +0.020 C ATOM 12 C LIG 1 -1.157 0.916 -0.598 0.00 0.00 +0.118 C ATOM 13 N LIG 1 -0.421 1.762 0.337 0.00 0.00 -0.297 N ATOM 14 C LIG 1 0.902 1.629 0.717 0.00 0.00 +0.249 C ATOM 15 O LIG 1 1.496 2.454 1.408 0.00 0.00 -0.270 OA ATOM 16 C LIG 1 -1.197 2.903 0.796 0.00 0.00 +0.109 C ATOM 17 C LIG 1 -2.386 2.962 -0.144 0.00 0.00 +0.030 C ATOM 18 C LIG 1 -3.519 1.171 -1.682 0.00 0.00 +0.121 C ATOM 19 O LIG 1 -6.213 0.017 -1.949 0.00 0.00 -0.226 OA BRANCH 8 20 ATOM 20 O LIG 1 -6.133 -0.359 0.314 0.00 0.00 -0.445 OA BRANCH 20 22 ATOM 21 C LIG 1 -8.567 -0.259 -0.056 0.00 0.00 +0.055 C ATOM 22 C LIG 1 -7.369 -1.116 0.365 0.00 0.00 +0.107 C ATOM 23 C LIG 1 -7.267 -2.405 -0.459 0.00 0.00 +0.055 C ATOM 24 C LIG 1 -7.532 -1.494 1.846 0.00 0.00 +0.055 C ENDBRANCH 20 22 ENDBRANCH 8 20 ENDBRANCH 1 14 BRANCH 6 25 ATOM 25 C LIG 1 4.773 -0.082 -1.932 0.00 0.00 +0.093 C BRANCH 25 26 ATOM 26 C LIG 1 6.046 -0.774 -1.459 0.00 0.00 +0.074 A ATOM 27 C LIG 1 6.814 -0.223 -0.312 0.00 0.00 +0.011 A ATOM 28 C LIG 1 7.960 -0.914 0.075 0.00 0.00 +0.050 A ATOM 29 C LIG 1 8.738 -0.464 1.149 0.00 0.00 +0.014 A ATOM 30 C LIG 1 8.364 0.686 1.841 0.00 0.00 +0.001 A ATOM 31 C LIG 1 7.218 1.382 1.460 0.00 0.00 +0.001 A ATOM 32 C LIG 1 8.350 -2.129 -0.659 0.00 0.00 +0.272 A ATOM 33 O LIG 1 9.351 -2.768 -0.356 0.00 0.00 -0.266 OA ATOM 34 N LIG 1 7.528 -2.498 -1.695 0.00 0.00 -0.242 N ATOM 35 H LIG 1 7.784 -3.333 -2.214 0.00 0.00 +0.192 HD ATOM 36 C LIG 1 6.444 0.933 0.385 0.00 0.00 +0.010 A ATOM 37 N LIG 1 6.402 -1.852 -2.097 0.00 0.00 -0.175 NA ENDBRANCH 25 26 ENDBRANCH 6 25 TORSDOF 5