REMARK Name = BDB032320 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.494 0.155 -2.760 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -0.182 0.641 -1.509 0.00 0.00 -0.041 A ATOM 3 C LIG 1 0.518 1.302 -0.492 0.00 0.00 -0.009 A ATOM 4 C LIG 1 -0.216 1.710 0.617 0.00 0.00 +0.118 A ATOM 5 N LIG 1 -1.551 1.539 0.763 0.00 0.00 -0.240 NA ATOM 6 C LIG 1 -2.229 0.911 -0.215 0.00 0.00 +0.122 A ATOM 7 C LIG 1 -1.567 0.465 -1.362 0.00 0.00 +0.047 A ENDROOT BRANCH 6 8 ATOM 8 N LIG 1 -3.619 0.738 -0.100 0.00 0.00 -0.306 N ATOM 9 C LIG 1 -4.204 1.521 1.020 0.00 0.00 +0.182 C ATOM 10 C LIG 1 -5.659 1.235 1.221 0.00 0.00 +0.151 A ATOM 11 N LIG 1 -6.547 1.865 1.956 0.00 0.00 -0.132 NA ATOM 12 N LIG 1 -7.747 1.199 1.829 0.00 0.00 -0.125 NA ATOM 13 C LIG 1 -7.570 0.171 1.017 0.00 0.00 +0.238 A ATOM 14 N LIG 1 -6.258 0.157 0.630 0.00 0.00 -0.305 N ATOM 15 C LIG 1 -5.574 -0.750 -0.268 0.00 0.00 +0.144 C ATOM 16 C LIG 1 -4.048 -0.673 -0.100 0.00 0.00 +0.128 C BRANCH 13 17 ATOM 17 C LIG 1 -8.562 -0.830 0.564 0.00 0.00 +0.452 C ATOM 18 F LIG 1 -8.260 -2.072 1.031 0.00 0.00 -0.163 F ATOM 19 F LIG 1 -9.832 -0.559 0.951 0.00 0.00 -0.163 F ATOM 20 F LIG 1 -8.576 -0.936 -0.793 0.00 0.00 -0.163 F ENDBRANCH 13 17 ENDBRANCH 6 8 BRANCH 3 21 ATOM 21 C LIG 1 2.002 1.557 -0.526 0.00 0.00 +0.138 C BRANCH 21 22 ATOM 22 N LIG 1 2.691 0.451 0.124 0.00 0.00 -0.339 N ATOM 23 H LIG 1 2.285 -0.445 -0.134 0.00 0.00 +0.146 HD BRANCH 22 24 ATOM 24 C LIG 1 4.099 0.380 0.126 0.00 0.00 +0.035 A ATOM 25 C LIG 1 4.750 -0.800 0.613 0.00 0.00 +0.008 A ATOM 26 C LIG 1 6.166 -0.877 0.624 0.00 0.00 +0.023 A ATOM 27 C LIG 1 6.770 -2.077 1.081 0.00 0.00 +0.124 A ATOM 28 N LIG 1 6.070 -3.136 1.522 0.00 0.00 -0.240 NA ATOM 29 C LIG 1 4.732 -3.032 1.535 0.00 0.00 +0.113 A ATOM 30 C LIG 1 6.910 0.243 0.193 0.00 0.00 +0.012 A ATOM 31 C LIG 1 6.280 1.412 -0.217 0.00 0.00 +0.003 A ATOM 32 C LIG 1 4.043 -1.914 1.103 0.00 0.00 +0.030 A ATOM 33 C LIG 1 4.890 1.481 -0.236 0.00 0.00 +0.023 A BRANCH 27 34 ATOM 34 N LIG 1 8.166 -2.228 1.114 0.00 0.00 -0.343 N ATOM 35 H LIG 1 8.562 -1.524 1.727 0.00 0.00 +0.144 HD ATOM 36 H LIG 1 8.540 -2.100 0.179 0.00 0.00 +0.144 HD ENDBRANCH 27 34 ENDBRANCH 22 24 ENDBRANCH 21 22 ENDBRANCH 3 21 TORSDOF 6