REMARK Name = BDB061740 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.768 1.091 3.779 0.00 0.00 +0.054 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.353 0.649 2.865 0.00 0.00 -0.046 A ATOM 3 C LIG 1 -0.241 -0.532 2.125 0.00 0.00 +0.005 A ATOM 4 C LIG 1 -1.266 -0.927 1.260 0.00 0.00 +0.023 A ATOM 5 C LIG 1 -2.424 -0.152 1.122 0.00 0.00 +0.035 A ATOM 6 C LIG 1 -2.533 1.029 1.856 0.00 0.00 +0.023 A ATOM 7 C LIG 1 -1.508 1.426 2.722 0.00 0.00 +0.005 A BRANCH 5 8 ATOM 8 N LIG 1 -3.405 -0.614 0.220 0.00 0.00 -0.269 N ATOM 9 H LIG 1 -3.212 -1.496 -0.228 0.00 0.00 +0.156 HD ATOM 10 C LIG 1 -4.685 -0.109 0.031 0.00 0.00 +0.308 C ATOM 11 N LIG 1 -5.295 -0.755 -1.036 0.00 0.00 -0.269 N ATOM 12 H LIG 1 -4.680 -1.262 -1.653 0.00 0.00 +0.156 HD ATOM 13 O LIG 1 -5.198 0.774 0.705 0.00 0.00 -0.252 OA BRANCH 11 14 ATOM 14 C LIG 1 -6.628 -0.614 -1.478 0.00 0.00 +0.035 A ATOM 15 C LIG 1 -7.614 0.078 -0.774 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -8.917 0.161 -1.276 0.00 0.00 +0.002 A ATOM 17 C LIG 1 -9.246 -0.451 -2.482 0.00 0.00 +0.000 A ATOM 18 C LIG 1 -8.272 -1.150 -3.189 0.00 0.00 +0.002 A ATOM 19 C LIG 1 -6.970 -1.234 -2.688 0.00 0.00 +0.023 A ENDBRANCH 11 14 ENDBRANCH 5 8 ENDBRANCH 1 2 BRANCH 1 20 ATOM 20 C LIG 1 1.602 2.251 3.211 0.00 0.00 +0.107 C BRANCH 20 21 ATOM 21 N LIG 1 2.204 1.953 1.906 0.00 0.00 -0.328 N ATOM 22 H LIG 1 1.498 1.623 1.251 0.00 0.00 +0.147 HD BRANCH 21 32 ATOM 23 C LIG 1 5.163 -0.145 -1.699 0.00 0.00 +0.158 A ATOM 24 C LIG 1 4.072 0.719 -1.762 0.00 0.00 +0.166 A ATOM 25 F LIG 1 3.612 1.145 -2.948 0.00 0.00 -0.202 F ATOM 26 C LIG 1 3.438 1.155 -0.606 0.00 0.00 +0.055 A ATOM 27 C LIG 1 3.890 0.721 0.660 0.00 0.00 +0.043 A ATOM 28 C LIG 1 4.995 -0.140 0.734 0.00 0.00 +0.080 A ATOM 29 N LIG 1 5.489 -0.577 1.895 0.00 0.00 -0.235 NA ATOM 30 C LIG 1 4.887 -0.138 3.005 0.00 0.00 +0.223 A ATOM 31 N LIG 1 3.826 0.672 3.062 0.00 0.00 -0.220 NA ATOM 32 C LIG 1 3.314 1.089 1.892 0.00 0.00 +0.130 A ATOM 33 C LIG 1 5.610 -0.561 -0.443 0.00 0.00 +0.077 A BRANCH 23 34 ATOM 34 O LIG 1 5.703 -0.512 -2.901 0.00 0.00 -0.489 OA BRANCH 34 36 ATOM 35 C LIG 1 7.284 -1.601 -4.311 0.00 0.00 +0.048 C ATOM 36 C LIG 1 6.852 -1.356 -2.877 0.00 0.00 +0.226 C ENDBRANCH 34 36 ENDBRANCH 23 34 ENDBRANCH 21 32 ENDBRANCH 20 21 ENDBRANCH 1 20 TORSDOF 8