REMARK Name = BDB037807 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.513 -2.105 0.019 0.00 0.00 -0.255 N ATOM 2 C LIG 1 -1.328 -0.971 0.166 0.00 0.00 +0.130 A ATOM 3 C LIG 1 -0.855 0.329 0.088 0.00 0.00 +0.030 A ATOM 4 C LIG 1 -1.985 1.186 0.192 0.00 0.00 +0.153 A ATOM 5 N LIG 1 -3.093 0.442 0.328 0.00 0.00 -0.164 NA ATOM 6 C LIG 1 0.598 0.647 -0.084 0.00 0.00 +0.057 C ATOM 7 C LIG 1 1.379 -0.523 0.569 0.00 0.00 +0.167 C ATOM 8 N LIG 1 -2.677 -0.843 0.411 0.00 0.00 -0.246 N ATOM 9 C LIG 1 0.884 -1.881 0.019 0.00 0.00 +0.242 C ATOM 10 O LIG 1 1.702 -2.743 -0.327 0.00 0.00 -0.273 OA ENDROOT BRANCH 4 11 ATOM 11 C LIG 1 -1.982 2.670 0.154 0.00 0.00 +0.268 C ATOM 12 N LIG 1 -3.189 3.360 0.104 0.00 0.00 -0.277 N ATOM 13 C LIG 1 -4.522 2.840 0.018 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -5.434 3.963 -0.404 0.00 0.00 +0.014 C ATOM 15 C LIG 1 -4.574 5.188 -0.593 0.00 0.00 +0.043 C ATOM 16 C LIG 1 -5.272 2.748 -1.276 0.00 0.00 +0.028 C ATOM 17 C LIG 1 -3.207 4.831 0.041 0.00 0.00 +0.180 C ATOM 18 O LIG 1 -0.923 3.301 0.144 0.00 0.00 -0.268 OA BRANCH 17 19 ATOM 19 C LIG 1 -3.087 5.427 1.388 0.00 0.00 +0.085 C ATOM 20 N LIG 1 -3.025 5.912 2.442 0.00 0.00 -0.195 NA ENDBRANCH 17 19 ENDBRANCH 4 11 BRANCH 8 21 ATOM 21 C LIG 1 -3.676 -1.774 0.927 0.00 0.00 +0.114 C ATOM 22 C LIG 1 -4.384 -2.571 -0.172 0.00 0.00 +0.055 C ATOM 23 C LIG 1 -5.355 -3.571 0.432 0.00 0.00 +0.162 C ATOM 24 O LIG 1 -4.699 -4.366 1.417 0.00 0.00 -0.380 OA ATOM 25 C LIG 1 -4.289 -3.593 2.543 0.00 0.00 +0.162 C ATOM 26 C LIG 1 -3.215 -2.598 2.136 0.00 0.00 +0.055 C ENDBRANCH 8 21 BRANCH 7 27 ATOM 27 N LIG 1 2.834 -0.455 0.406 0.00 0.00 -0.299 N ATOM 28 H LIG 1 3.260 -1.278 -0.009 0.00 0.00 +0.150 HD ATOM 29 C LIG 1 3.595 0.429 1.131 0.00 0.00 +0.245 C ATOM 30 O LIG 1 3.109 1.250 1.900 0.00 0.00 -0.270 OA BRANCH 29 31 ATOM 31 C LIG 1 5.072 0.326 0.969 0.00 0.00 +0.037 A ATOM 32 C LIG 1 5.663 -0.194 -0.190 0.00 0.00 +0.025 A ATOM 33 C LIG 1 7.066 -0.270 -0.318 0.00 0.00 +0.058 A ATOM 34 C LIG 1 7.879 0.187 0.744 0.00 0.00 -0.039 A ATOM 35 C LIG 1 9.382 0.138 0.662 0.00 0.00 +0.044 C ATOM 36 C LIG 1 7.276 0.725 1.892 0.00 0.00 +0.004 A ATOM 37 C LIG 1 5.887 0.797 2.002 0.00 0.00 +0.013 A BRANCH 33 38 ATOM 38 C LIG 1 7.666 -0.837 -1.587 0.00 0.00 +0.418 C ATOM 39 F LIG 1 6.735 -1.165 -2.527 0.00 0.00 -0.166 F ATOM 40 F LIG 1 8.518 0.029 -2.203 0.00 0.00 -0.166 F ATOM 41 F LIG 1 8.379 -1.976 -1.366 0.00 0.00 -0.166 F ENDBRANCH 33 38 ENDBRANCH 29 31 ENDBRANCH 7 27 BRANCH 6 42 ATOM 42 C LIG 1 1.088 0.927 -1.500 0.00 0.00 -0.001 C ATOM 43 C LIG 1 0.677 0.104 -2.699 0.00 0.00 +0.004 C ATOM 44 C LIG 1 0.223 1.532 -2.582 0.00 0.00 +0.004 C ENDBRANCH 6 42 BRANCH 1 46 ATOM 45 C LIG 1 -1.063 -3.470 -1.972 0.00 0.00 +0.025 C ATOM 46 C LIG 1 -0.942 -3.417 -0.456 0.00 0.00 +0.112 C ENDBRANCH 1 46 TORSDOF 8