REMARK Name = BDB035378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.954 0.275 0.780 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.196 0.142 1.565 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.376 0.292 2.760 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.287 -0.252 0.665 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.613 -0.497 0.972 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.471 -0.865 -0.072 0.00 0.00 -0.032 A ATOM 7 C LIG 1 2.963 -0.961 -1.392 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.610 -0.708 -1.687 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.782 -0.352 -0.626 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.676 -0.024 -0.620 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.650 1.085 0.719 0.00 0.00 -0.031 A ATOM 12 C LIG 1 -3.329 0.728 0.336 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.248 0.653 1.233 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.502 0.961 2.569 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.780 1.331 2.989 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.834 1.392 2.078 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.836 1.122 -0.380 0.00 0.00 +0.069 C ATOM 18 C LIG 1 -7.273 1.625 0.027 0.00 0.00 +0.094 C ATOM 19 C LIG 1 -6.867 2.982 -0.569 0.00 0.00 +0.136 C ATOM 20 O LIG 1 -7.266 4.115 -0.414 0.00 0.00 -0.297 OA ATOM 21 C LIG 1 -5.744 2.334 -1.398 0.00 0.00 +0.094 C BRANCH 17 24 ATOM 22 C LIG 1 -6.492 -1.793 0.826 0.00 0.00 +0.151 C ATOM 23 N LIG 1 -6.201 -1.497 -0.550 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -5.920 -0.280 -1.110 0.00 0.00 +0.144 A ATOM 25 N LIG 1 -5.676 -0.447 -2.392 0.00 0.00 -0.134 NA ATOM 26 N LIG 1 -5.812 -1.784 -2.679 0.00 0.00 -0.138 NA ATOM 27 C LIG 1 -6.125 -2.401 -1.564 0.00 0.00 +0.224 A ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 1.073 -0.814 -3.089 0.00 0.00 +0.418 C ATOM 29 F LIG 1 0.521 0.354 -3.517 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.087 -1.748 -3.188 0.00 0.00 -0.166 F ATOM 31 F LIG 1 2.009 -1.153 -4.016 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 4.940 -1.126 0.196 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.743 -0.015 -0.297 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.308 0.864 -0.014 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.190 -0.048 -0.035 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.470 0.296 1.452 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.556 -0.803 1.427 0.00 0.00 +0.004 C ATOM 38 C LIG 1 7.801 -1.447 0.239 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.927 0.806 -1.059 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 7