REMARK Name = BDB038707 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.667 -0.999 0.643 0.00 0.00 +0.129 A ATOM 2 N LIG 1 -0.606 -1.146 1.978 0.00 0.00 -0.236 NA ATOM 3 C LIG 1 -1.732 -1.218 2.728 0.00 0.00 +0.047 A ATOM 4 C LIG 1 -2.979 -1.126 2.118 0.00 0.00 +0.032 A ATOM 5 C LIG 1 -3.081 -0.931 0.737 0.00 0.00 -0.012 A ATOM 6 C LIG 1 -1.893 -0.886 -0.003 0.00 0.00 +0.052 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 4.846 -0.933 -1.825 0.00 0.00 -0.030 A ATOM 8 C LIG 1 4.153 -1.003 -0.605 0.00 0.00 +0.018 A ATOM 9 C LIG 1 2.769 -0.970 -0.637 0.00 0.00 +0.045 A ATOM 10 C LIG 1 1.815 -1.019 0.478 0.00 0.00 +0.253 C ATOM 11 N LIG 1 0.539 -0.952 -0.088 0.00 0.00 -0.248 N ATOM 12 C LIG 1 0.595 -0.858 -1.536 0.00 0.00 +0.154 C ATOM 13 O LIG 1 2.194 -1.094 1.631 0.00 0.00 -0.270 OA ATOM 14 C LIG 1 2.051 -0.874 -1.818 0.00 0.00 +0.018 A ATOM 15 C LIG 1 2.718 -0.809 -3.018 0.00 0.00 +0.129 A ATOM 16 F LIG 1 2.036 -0.713 -4.166 0.00 0.00 -0.205 F ATOM 17 C LIG 1 4.112 -0.839 -3.031 0.00 0.00 +0.043 A BRANCH 7 18 ATOM 18 C LIG 1 6.362 -0.950 -1.850 0.00 0.00 +0.119 C BRANCH 18 20 ATOM 19 C LIG 1 6.860 1.030 -0.512 0.00 0.00 +0.105 C ATOM 20 N LIG 1 7.016 0.367 -1.800 0.00 0.00 -0.298 NA BRANCH 20 21 ATOM 21 C LIG 1 6.838 1.175 -3.021 0.00 0.00 +0.057 C ATOM 22 C LIG 1 5.761 2.217 -3.156 0.00 0.00 +0.020 C ATOM 23 C LIG 1 7.203 2.633 -3.091 0.00 0.00 +0.020 C ENDBRANCH 20 21 ENDBRANCH 18 20 ENDBRANCH 7 18 ENDBRANCH 1 11 BRANCH 5 24 ATOM 24 C LIG 1 -4.395 -0.767 0.080 0.00 0.00 -0.007 A ATOM 25 C LIG 1 -5.345 0.207 0.477 0.00 0.00 +0.028 A ATOM 26 C LIG 1 -6.595 0.274 -0.168 0.00 0.00 +0.031 A ATOM 27 C LIG 1 -6.909 -0.591 -1.218 0.00 0.00 +0.052 A ATOM 28 C LIG 1 -5.975 -1.542 -1.627 0.00 0.00 +0.019 A ATOM 29 C LIG 1 -4.737 -1.630 -0.982 0.00 0.00 +0.010 A BRANCH 25 30 ATOM 30 C LIG 1 -5.115 1.145 1.577 0.00 0.00 +0.164 A ATOM 31 N LIG 1 -4.168 2.137 1.637 0.00 0.00 -0.317 N ATOM 32 C LIG 1 -3.222 2.539 0.632 0.00 0.00 +0.152 C ATOM 33 C LIG 1 -4.309 2.728 2.856 0.00 0.00 +0.225 A ATOM 34 N LIG 1 -5.299 2.166 3.505 0.00 0.00 -0.138 NA ATOM 35 N LIG 1 -5.816 1.182 2.697 0.00 0.00 -0.129 NA ENDBRANCH 25 30 BRANCH 27 36 ATOM 36 C LIG 1 -8.182 -0.504 -1.872 0.00 0.00 +0.099 C ATOM 37 N LIG 1 -9.204 -0.431 -2.416 0.00 0.00 -0.191 NA ENDBRANCH 27 36 ENDBRANCH 5 24 BRANCH 3 38 ATOM 38 C LIG 1 -1.544 -1.381 4.223 0.00 0.00 +0.038 C ATOM 39 C LIG 1 -2.501 -2.183 5.072 0.00 0.00 +0.010 C ATOM 40 C LIG 1 -2.449 -0.688 5.214 0.00 0.00 +0.010 C ENDBRANCH 3 38 TORSDOF 8