REMARK Name = BDB038370 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.780 -1.904 0.252 0.00 0.00 +0.006 A ATOM 2 C LIG 1 0.169 -0.885 0.145 0.00 0.00 +0.054 A ATOM 3 C LIG 1 0.930 -0.760 -1.014 0.00 0.00 +0.129 A ATOM 4 N LIG 1 0.812 -1.651 -2.016 0.00 0.00 -0.235 NA ATOM 5 C LIG 1 -0.103 -2.643 -1.920 0.00 0.00 +0.058 A ATOM 6 C LIG 1 -0.925 -2.791 -0.811 0.00 0.00 +0.034 A ENDROOT BRANCH 3 7 ATOM 7 N LIG 1 1.825 0.319 -1.169 0.00 0.00 -0.248 N ATOM 8 C LIG 1 2.676 0.496 -2.256 0.00 0.00 +0.253 C ATOM 9 O LIG 1 2.926 -0.202 -3.222 0.00 0.00 -0.270 OA ATOM 10 C LIG 1 3.338 1.794 -2.058 0.00 0.00 +0.042 A ATOM 11 C LIG 1 4.274 2.417 -2.862 0.00 0.00 +0.013 A ATOM 12 C LIG 1 4.748 3.662 -2.453 0.00 0.00 +0.001 A ATOM 13 C LIG 1 4.281 4.249 -1.262 0.00 0.00 +0.013 A ATOM 14 C LIG 1 3.331 3.601 -0.448 0.00 0.00 +0.060 A ATOM 15 C LIG 1 2.867 2.360 -0.876 0.00 0.00 -0.006 A ATOM 16 C LIG 1 1.865 1.442 -0.251 0.00 0.00 +0.151 C BRANCH 14 17 ATOM 17 C LIG 1 2.818 4.237 0.816 0.00 0.00 +0.418 C ATOM 18 F LIG 1 3.591 5.267 1.259 0.00 0.00 -0.166 F ATOM 19 F LIG 1 1.564 4.742 0.671 0.00 0.00 -0.166 F ATOM 20 F LIG 1 2.748 3.355 1.853 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 3 7 BRANCH 1 22 ATOM 21 C LIG 1 -2.458 -1.119 2.087 0.00 0.00 +0.064 A ATOM 22 C LIG 1 -1.615 -2.024 1.452 0.00 0.00 +0.079 A ATOM 23 N LIG 1 -1.692 -3.170 2.219 0.00 0.00 -0.266 N ATOM 24 C LIG 1 -0.942 -4.396 2.060 0.00 0.00 +0.173 C ATOM 25 N LIG 1 -2.559 -3.079 3.247 0.00 0.00 -0.179 NA ATOM 26 C LIG 1 -3.016 -1.831 3.163 0.00 0.00 +0.146 A BRANCH 21 29 ATOM 27 C LIG 1 -4.465 1.104 3.345 0.00 0.00 +0.152 C ATOM 28 N LIG 1 -3.562 1.283 2.242 0.00 0.00 -0.316 N ATOM 29 C LIG 1 -2.717 0.367 1.668 0.00 0.00 +0.167 A ATOM 30 N LIG 1 -2.099 0.964 0.665 0.00 0.00 -0.129 NA ATOM 31 N LIG 1 -2.514 2.270 0.599 0.00 0.00 -0.138 NA ATOM 32 C LIG 1 -3.400 2.444 1.548 0.00 0.00 +0.225 A ENDBRANCH 21 29 ENDBRANCH 1 22 BRANCH 5 33 ATOM 33 C LIG 1 -0.225 -3.580 -3.101 0.00 0.00 +0.133 C BRANCH 33 34 ATOM 34 N LIG 1 -1.521 -3.462 -3.779 0.00 0.00 -0.325 NA ATOM 35 H LIG 1 -1.626 -2.485 -4.059 0.00 0.00 +0.119 HD ATOM 36 H LIG 1 -1.473 -3.988 -4.650 0.00 0.00 +0.119 HD ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 6