REMARK Name = BDB036028 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.506 -0.292 -1.149 0.00 0.00 -0.032 A ATOM 2 C LIG 1 2.903 0.591 -2.076 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.504 0.752 -2.144 0.00 0.00 +0.061 A ATOM 4 C LIG 1 0.731 0.001 -1.263 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.753 -0.043 -1.095 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.950 -1.016 -0.028 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.273 -1.521 0.430 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.527 -2.336 1.298 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.327 -0.870 -0.359 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.696 -1.038 -0.279 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.243 -1.371 0.447 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.395 -0.769 -0.091 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.713 -1.068 0.343 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -4.826 -2.032 1.358 0.00 0.00 +0.005 A ATOM 15 C LIG 1 -3.703 -2.650 1.906 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.425 -2.320 1.454 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.973 -0.318 -0.302 0.00 0.00 +0.058 C ATOM 18 C LIG 1 -6.213 -0.602 -1.831 0.00 0.00 +0.037 C ATOM 19 C LIG 1 -7.734 -0.518 -1.565 0.00 0.00 +0.094 C ATOM 20 C LIG 1 -7.416 -0.893 -0.095 0.00 0.00 +0.037 C BRANCH 17 21 ATOM 21 C LIG 1 -5.906 1.235 0.035 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.836 1.827 1.267 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.803 1.196 2.557 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.795 3.168 1.035 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -5.842 3.391 -0.257 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -5.909 2.174 -0.888 0.00 0.00 -0.134 NA ENDBRANCH 17 21 BRANCH 19 27 ATOM 27 C LIG 1 -8.551 -1.468 -2.285 0.00 0.00 +0.066 C ATOM 28 N LIG 1 -9.206 -2.242 -2.848 0.00 0.00 -0.196 NA ENDBRANCH 19 27 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 0.864 1.701 -3.120 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.188 2.702 -2.494 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.749 2.308 -3.957 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -0.046 1.081 -3.920 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 5.015 -0.450 -1.108 0.00 0.00 +0.119 C BRANCH 33 37 ATOM 34 C LIG 1 9.020 -0.944 1.742 0.00 0.00 +0.009 C ATOM 35 C LIG 1 7.700 -0.203 1.534 0.00 0.00 +0.000 C ATOM 36 C LIG 1 6.921 -0.774 0.342 0.00 0.00 +0.088 C ATOM 37 N LIG 1 5.582 -0.175 0.218 0.00 0.00 -0.298 NA ATOM 38 C LIG 1 5.530 1.246 0.593 0.00 0.00 +0.085 C ATOM 39 C LIG 1 6.873 1.962 0.477 0.00 0.00 +0.016 C ATOM 40 C LIG 1 7.943 1.303 1.347 0.00 0.00 +0.006 C ENDBRANCH 33 37 ENDBRANCH 1 33 TORSDOF 7