REMARK Name = BDB029302 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.740 -0.621 -0.155 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.354 -1.441 -0.460 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.429 -2.642 -0.639 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.530 -0.567 -0.561 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.841 -0.907 -0.836 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.795 0.121 -0.876 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.392 1.456 -0.638 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.051 1.786 -0.360 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.130 0.743 -0.327 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.339 0.776 -0.058 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.452 -0.461 0.533 0.00 0.00 -0.039 A ATOM 12 C LIG 1 -3.100 -0.104 0.310 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -2.081 -1.044 0.060 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.441 -2.393 0.032 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.762 -2.787 0.247 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.747 -1.835 0.494 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.604 0.650 0.782 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -5.185 1.848 1.708 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -6.503 1.711 2.497 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -6.686 0.316 1.871 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 -7.518 2.698 2.187 0.00 0.00 +0.066 C ATOM 22 N LIG 1 -8.305 3.511 1.932 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 -6.162 1.129 -0.582 0.00 0.00 +0.088 C BRANCH 23 26 ATOM 24 C LIG 1 -5.158 -0.211 -3.224 0.00 0.00 +0.151 C ATOM 25 N LIG 1 -6.357 -0.536 -2.501 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -6.830 0.038 -1.349 0.00 0.00 +0.134 A ATOM 27 N LIG 1 -7.965 -0.550 -1.028 0.00 0.00 -0.135 NA ATOM 28 N LIG 1 -8.227 -1.524 -1.960 0.00 0.00 -0.138 NA ATOM 29 C LIG 1 -7.254 -1.503 -2.839 0.00 0.00 +0.224 A ENDBRANCH 23 26 ENDBRANCH 17 23 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 30 ATOM 30 C LIG 1 1.621 3.205 -0.100 0.00 0.00 +0.418 C ATOM 31 F LIG 1 2.619 4.118 -0.228 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.631 3.603 -0.948 0.00 0.00 -0.166 F ATOM 33 F LIG 1 1.116 3.365 1.154 0.00 0.00 -0.166 F ENDBRANCH 8 30 BRANCH 6 34 ATOM 34 C LIG 1 5.247 -0.205 -1.166 0.00 0.00 +0.119 C BRANCH 34 35 ATOM 35 N LIG 1 5.866 -1.039 -0.124 0.00 0.00 -0.298 NA ATOM 36 C LIG 1 7.080 -1.704 -0.586 0.00 0.00 +0.090 C ATOM 37 C LIG 1 8.315 -0.844 -0.827 0.00 0.00 +0.091 C ATOM 38 C LIG 1 8.693 0.086 0.308 0.00 0.00 +0.250 C ATOM 39 F LIG 1 8.028 1.265 0.165 0.00 0.00 -0.206 F ATOM 40 F LIG 1 10.011 0.407 0.163 0.00 0.00 -0.206 F ATOM 41 C LIG 1 8.486 -0.437 1.722 0.00 0.00 +0.077 C ATOM 42 C LIG 1 7.054 -0.819 2.122 0.00 0.00 +0.021 C ATOM 43 C LIG 1 5.944 -0.352 1.173 0.00 0.00 +0.085 C ENDBRANCH 34 35 ENDBRANCH 6 34 TORSDOF 8