REMARK Name = BDB030480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.411 0.912 -0.440 0.00 0.00 +0.159 A ATOM 2 C LIG 1 0.825 0.743 0.181 0.00 0.00 +0.203 A ATOM 3 F LIG 1 1.134 1.504 1.246 0.00 0.00 -0.198 F ATOM 4 C LIG 1 1.726 -0.173 -0.358 0.00 0.00 +0.163 A ATOM 5 N LIG 1 1.394 -0.869 -1.468 0.00 0.00 -0.218 NA ATOM 6 C LIG 1 0.179 -0.651 -1.991 0.00 0.00 +0.225 A ATOM 7 N LIG 1 -0.744 0.199 -1.527 0.00 0.00 -0.218 NA ENDROOT BRANCH 1 8 ATOM 8 N LIG 1 -1.344 1.799 0.141 0.00 0.00 -0.326 N ATOM 9 H LIG 1 -0.845 2.637 0.434 0.00 0.00 +0.148 HD BRANCH 8 10 ATOM 10 C LIG 1 -2.543 2.117 -0.640 0.00 0.00 +0.109 C BRANCH 10 14 ATOM 11 N LIG 1 -6.241 -0.147 -0.548 0.00 0.00 -0.292 NA ATOM 12 C LIG 1 -6.304 1.257 -0.093 0.00 0.00 +0.116 C ATOM 13 C LIG 1 -5.069 2.032 -0.586 0.00 0.00 +0.133 C ATOM 14 C LIG 1 -3.772 1.386 -0.074 0.00 0.00 +0.037 C ATOM 15 C LIG 1 -3.761 -0.112 -0.419 0.00 0.00 +0.023 C ATOM 16 C LIG 1 -5.053 -0.811 0.011 0.00 0.00 +0.085 C BRANCH 13 17 ATOM 17 O LIG 1 -5.081 2.057 -2.017 0.00 0.00 -0.390 OA ATOM 18 H LIG 1 -5.401 1.172 -2.291 0.00 0.00 +0.210 HD ENDBRANCH 13 17 BRANCH 11 19 ATOM 19 C LIG 1 -7.490 -0.849 -0.180 0.00 0.00 +0.180 C BRANCH 19 23 ATOM 20 N LIG 1 -7.431 -3.300 -0.076 0.00 0.00 -0.328 N ATOM 21 H LIG 1 -7.380 -4.187 -0.559 0.00 0.00 +0.145 HD ATOM 22 H LIG 1 -6.957 -3.224 0.812 0.00 0.00 +0.145 HD ATOM 23 C LIG 1 -7.593 -2.206 -0.883 0.00 0.00 +0.225 C ATOM 24 O LIG 1 -7.800 -2.349 -2.084 0.00 0.00 -0.275 OA ENDBRANCH 19 23 ENDBRANCH 11 19 ENDBRANCH 10 14 ENDBRANCH 8 10 ENDBRANCH 1 8 BRANCH 4 25 ATOM 25 N LIG 1 2.998 -0.390 0.221 0.00 0.00 -0.305 N BRANCH 25 26 ATOM 26 C LIG 1 3.229 -0.181 1.663 0.00 0.00 +0.075 C ATOM 27 C LIG 1 2.340 -0.798 2.714 0.00 0.00 +0.024 C ATOM 28 C LIG 1 3.752 -1.265 2.572 0.00 0.00 +0.024 C ENDBRANCH 25 26 BRANCH 25 29 ATOM 29 C LIG 1 3.930 -1.220 -0.549 0.00 0.00 +0.142 C BRANCH 29 30 ATOM 30 C LIG 1 5.377 -0.810 -0.333 0.00 0.00 -0.030 A ATOM 31 C LIG 1 6.324 -1.742 0.113 0.00 0.00 +0.006 A ATOM 32 C LIG 1 7.657 -1.366 0.296 0.00 0.00 +0.013 A ATOM 33 C LIG 1 8.071 -0.050 0.038 0.00 0.00 +0.055 A ATOM 34 C LIG 1 7.127 0.877 -0.427 0.00 0.00 +0.013 A ATOM 35 C LIG 1 5.794 0.500 -0.610 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 9.514 0.350 0.218 0.00 0.00 +0.417 C ATOM 37 F LIG 1 10.156 -0.375 1.177 0.00 0.00 -0.166 F ATOM 38 F LIG 1 10.242 0.190 -0.921 0.00 0.00 -0.166 F ATOM 39 F LIG 1 9.667 1.656 0.578 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 25 29 ENDBRANCH 4 25 TORSDOF 11