REMARK Name = BDB035752 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.371 0.356 0.916 0.00 0.00 -0.030 A ATOM 2 C LIG 1 2.724 1.534 1.367 0.00 0.00 +0.014 A ATOM 3 C LIG 1 1.365 1.787 1.094 0.00 0.00 +0.023 A ATOM 4 C LIG 1 0.665 0.820 0.379 0.00 0.00 -0.009 A ATOM 5 C LIG 1 -0.769 0.787 -0.037 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.901 -0.486 -0.734 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.318 -1.173 -0.760 0.00 0.00 +0.251 C ATOM 8 O LIG 1 0.616 -2.256 -1.232 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.298 -0.338 -0.055 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.634 -0.595 0.190 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.130 -0.916 -1.308 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.296 -0.138 -1.172 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.534 -0.536 -1.717 0.00 0.00 -0.035 A ATOM 14 C LIG 1 -4.581 -1.745 -2.430 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.440 -2.526 -2.580 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.228 -2.115 -2.021 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.833 0.257 -1.561 0.00 0.00 +0.094 C BRANCH 17 18 ATOM 18 C LIG 1 -6.872 -0.426 -0.712 0.00 0.00 +0.141 A ATOM 19 N LIG 1 -6.693 -1.152 0.442 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.482 -1.454 1.157 0.00 0.00 +0.151 C ATOM 21 C LIG 1 -7.934 -1.570 0.823 0.00 0.00 +0.224 A ATOM 22 N LIG 1 -8.827 -1.137 -0.032 0.00 0.00 -0.138 NA ATOM 23 N LIG 1 -8.163 -0.425 -0.996 0.00 0.00 -0.134 NA ENDBRANCH 17 18 BRANCH 17 24 ATOM 24 C LIG 1 -5.613 1.730 -1.215 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -5.459 2.231 0.234 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -6.319 3.365 -0.049 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -6.838 2.669 -1.218 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 28 ATOM 28 C LIG 1 0.691 3.026 1.617 0.00 0.00 +0.372 C ATOM 29 F LIG 1 0.184 2.840 2.867 0.00 0.00 -0.204 F ATOM 30 F LIG 1 -0.364 3.419 0.848 0.00 0.00 -0.204 F ENDBRANCH 3 28 BRANCH 1 32 ATOM 31 C LIG 1 4.980 -1.028 2.228 0.00 0.00 +0.029 C ATOM 32 C LIG 1 4.851 0.126 1.229 0.00 0.00 +0.081 C BRANCH 32 33 ATOM 33 N LIG 1 5.578 -0.084 -0.033 0.00 0.00 -0.304 NA ATOM 34 H LIG 1 5.292 0.648 -0.684 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.041 -0.191 0.087 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.445 -1.673 0.329 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.457 -1.528 -0.825 0.00 0.00 +0.004 C ATOM 38 C LIG 1 7.578 -0.384 -1.368 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.730 0.913 0.868 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 1 32 TORSDOF 8