REMARK Name = BDB038463 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.218 -1.226 -1.535 0.00 0.00 +0.121 A ATOM 2 N LIG 1 -1.891 -0.999 -1.509 0.00 0.00 -0.217 NA ATOM 3 C LIG 1 -1.346 -0.355 -0.450 0.00 0.00 +0.131 A ATOM 4 C LIG 1 -2.120 0.077 0.617 0.00 0.00 +0.054 A ATOM 5 C LIG 1 -3.489 -0.186 0.613 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -4.037 -0.858 -0.476 0.00 0.00 +0.053 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 0.046 -0.155 -0.492 0.00 0.00 -0.248 N ATOM 8 C LIG 1 0.857 0.400 0.487 0.00 0.00 +0.253 C ATOM 9 O LIG 1 0.589 0.831 1.593 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 2.226 0.380 -0.047 0.00 0.00 +0.043 A ATOM 11 C LIG 1 3.392 0.827 0.545 0.00 0.00 +0.018 A ATOM 12 C LIG 1 4.589 0.692 -0.174 0.00 0.00 -0.032 A ATOM 13 C LIG 1 4.567 0.110 -1.465 0.00 0.00 +0.017 A ATOM 14 C LIG 1 3.370 -0.342 -2.055 0.00 0.00 +0.061 A ATOM 15 C LIG 1 2.200 -0.193 -1.316 0.00 0.00 -0.006 A ATOM 16 C LIG 1 0.795 -0.576 -1.663 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 3.348 -0.969 -3.423 0.00 0.00 +0.418 C ATOM 18 F LIG 1 4.565 -1.000 -4.031 0.00 0.00 -0.166 F ATOM 19 F LIG 1 2.909 -2.257 -3.392 0.00 0.00 -0.166 F ATOM 20 F LIG 1 2.517 -0.314 -4.279 0.00 0.00 -0.166 F ENDBRANCH 14 17 BRANCH 12 21 ATOM 21 C LIG 1 5.897 1.166 0.430 0.00 0.00 +0.119 C BRANCH 21 22 ATOM 22 N LIG 1 6.247 0.438 1.664 0.00 0.00 -0.295 NA ATOM 23 C LIG 1 6.674 -0.952 1.391 0.00 0.00 +0.121 C ATOM 24 C LIG 1 8.152 -0.882 1.029 0.00 0.00 +0.181 C ATOM 25 F LIG 1 8.281 -0.816 -0.326 0.00 0.00 -0.244 F ATOM 26 C LIG 1 8.652 0.419 1.631 0.00 0.00 +0.053 C ATOM 27 C LIG 1 7.432 1.036 2.302 0.00 0.00 +0.087 C ENDBRANCH 21 22 ENDBRANCH 12 21 ENDBRANCH 3 7 BRANCH 5 28 ATOM 28 C LIG 1 -4.336 0.235 1.731 0.00 0.00 +0.079 A ATOM 29 N LIG 1 -4.160 -0.197 3.030 0.00 0.00 -0.266 N ATOM 30 C LIG 1 -3.177 -1.136 3.524 0.00 0.00 +0.173 C ATOM 31 N LIG 1 -5.045 0.328 3.901 0.00 0.00 -0.179 NA ATOM 32 C LIG 1 -5.813 1.105 3.139 0.00 0.00 +0.146 A ATOM 33 C LIG 1 -5.432 1.087 1.785 0.00 0.00 +0.064 A BRANCH 33 34 ATOM 34 C LIG 1 -6.068 1.852 0.580 0.00 0.00 +0.167 A ATOM 35 N LIG 1 -7.134 2.716 0.584 0.00 0.00 -0.316 N ATOM 36 C LIG 1 -7.926 3.158 1.697 0.00 0.00 +0.152 C ATOM 37 C LIG 1 -7.317 3.108 -0.708 0.00 0.00 +0.225 A ATOM 38 N LIG 1 -6.425 2.530 -1.474 0.00 0.00 -0.138 NA ATOM 39 N LIG 1 -5.637 1.749 -0.664 0.00 0.00 -0.129 NA ENDBRANCH 33 34 ENDBRANCH 5 28 BRANCH 1 40 ATOM 40 N LIG 1 -3.816 -1.889 -2.624 0.00 0.00 -0.329 N ATOM 41 H LIG 1 -4.616 -1.328 -2.913 0.00 0.00 +0.147 HD BRANCH 40 43 ATOM 42 C LIG 1 -2.158 -3.466 -3.528 0.00 0.00 +0.024 C ATOM 43 C LIG 1 -2.940 -2.182 -3.755 0.00 0.00 +0.099 C ENDBRANCH 40 43 ENDBRANCH 1 40 TORSDOF 8