REMARK Name = BDB049600 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.565 -0.274 -0.434 0.00 0.00 +0.052 A ATOM 2 C LIG 1 0.869 0.359 0.644 0.00 0.00 +0.030 A ATOM 3 C LIG 1 -0.204 1.052 0.091 0.00 0.00 +0.142 A ATOM 4 N LIG 1 -1.111 1.802 0.752 0.00 0.00 -0.237 NA ATOM 5 C LIG 1 -0.912 1.837 2.087 0.00 0.00 +0.113 A ATOM 6 C LIG 1 0.098 1.177 2.769 0.00 0.00 +0.020 A ATOM 7 N LIG 1 -0.205 0.825 -1.266 0.00 0.00 -0.324 N ATOM 8 C LIG 1 1.012 0.414 2.045 0.00 0.00 +0.014 A ATOM 9 C LIG 1 0.874 0.030 -1.608 0.00 0.00 +0.029 A ATOM 10 C LIG 1 1.178 -0.401 -3.005 0.00 0.00 +0.064 C ENDROOT BRANCH 1 11 ATOM 11 C LIG 1 2.756 -1.120 -0.378 0.00 0.00 +0.195 C ATOM 12 O LIG 1 2.858 -2.148 -1.042 0.00 0.00 -0.287 OA BRANCH 11 16 ATOM 13 C LIG 1 6.095 -0.044 2.109 0.00 0.00 +0.120 A ATOM 14 C LIG 1 5.790 -1.383 1.851 0.00 0.00 +0.046 A ATOM 15 C LIG 1 4.700 -1.724 1.046 0.00 0.00 +0.015 A ATOM 16 C LIG 1 3.895 -0.721 0.496 0.00 0.00 +0.023 A ATOM 17 C LIG 1 4.209 0.623 0.737 0.00 0.00 +0.015 A ATOM 18 C LIG 1 5.302 0.958 1.548 0.00 0.00 +0.046 A BRANCH 13 20 ATOM 19 C LIG 1 7.556 1.493 3.188 0.00 0.00 +0.277 C ATOM 20 O LIG 1 7.184 0.147 2.912 0.00 0.00 -0.495 OA ENDBRANCH 13 20 ENDBRANCH 11 16 ENDBRANCH 1 11 BRANCH 7 21 ATOM 21 C LIG 1 -1.207 1.382 -2.169 0.00 0.00 +0.161 C BRANCH 21 22 ATOM 22 C LIG 1 -2.307 0.398 -2.466 0.00 0.00 +0.011 A ATOM 23 C LIG 1 -2.416 -0.185 -3.730 0.00 0.00 +0.128 A ATOM 24 F LIG 1 -1.541 0.134 -4.693 0.00 0.00 -0.205 F ATOM 25 C LIG 1 -3.430 -1.090 -4.020 0.00 0.00 +0.042 A ATOM 26 C LIG 1 -4.359 -1.422 -3.034 0.00 0.00 +0.048 A ATOM 27 C LIG 1 -4.280 -0.852 -1.761 0.00 0.00 +0.122 A ATOM 28 C LIG 1 -3.256 0.058 -1.483 0.00 0.00 +0.054 A BRANCH 27 29 ATOM 29 O LIG 1 -5.261 -1.256 -0.901 0.00 0.00 -0.478 OA BRANCH 29 30 ATOM 30 C LIG 1 -5.226 -0.808 0.457 0.00 0.00 +0.278 C ATOM 31 C LIG 1 -5.944 0.534 0.573 0.00 0.00 +0.064 C BRANCH 30 32 ATOM 32 C LIG 1 -5.953 -1.842 1.316 0.00 0.00 +0.346 C ATOM 33 O LIG 1 -6.510 -2.865 0.952 0.00 0.00 -0.247 OA BRANCH 32 34 ATOM 34 O LIG 1 -5.911 -1.546 2.636 0.00 0.00 -0.478 OA ATOM 35 H LIG 1 -6.369 -2.308 3.050 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 30 32 ENDBRANCH 29 30 ENDBRANCH 27 29 ENDBRANCH 21 22 ENDBRANCH 7 21 TORSDOF 9