REMARK Name = BDB035656 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.073 0.545 1.183 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.147 0.670 1.856 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.447 1.273 2.870 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.136 -0.102 1.093 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.481 -0.283 1.357 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.224 -1.083 0.476 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -2.588 -1.655 -0.652 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -1.217 -1.454 -0.911 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -0.505 -0.669 -0.009 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.939 -0.283 -0.008 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.737 1.436 1.149 0.00 0.00 -0.007 A ATOM 12 C LIG 1 3.462 0.945 0.775 0.00 0.00 +0.030 A ATOM 13 C LIG 1 2.322 1.092 1.586 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.473 1.781 2.791 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.715 2.288 3.180 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.835 2.119 2.369 0.00 0.00 +0.007 A BRANCH 11 17 ATOM 17 C LIG 1 5.928 1.275 0.189 0.00 0.00 +0.147 C ATOM 18 C LIG 1 7.297 1.575 0.822 0.00 0.00 +0.055 C BRANCH 17 21 ATOM 19 C LIG 1 6.934 0.522 -2.733 0.00 0.00 +0.151 C ATOM 20 N LIG 1 6.435 -0.380 -1.729 0.00 0.00 -0.318 N ATOM 21 C LIG 1 5.995 -0.096 -0.457 0.00 0.00 +0.169 A ATOM 22 N LIG 1 5.666 -1.241 0.121 0.00 0.00 -0.131 NA ATOM 23 N LIG 1 5.855 -2.259 -0.779 0.00 0.00 -0.138 NA ATOM 24 C LIG 1 6.320 -1.728 -1.882 0.00 0.00 +0.224 A ENDBRANCH 17 21 BRANCH 17 25 ATOM 25 O LIG 1 5.742 2.242 -0.860 0.00 0.00 -0.376 OA ATOM 26 H LIG 1 5.070 2.875 -0.551 0.00 0.00 +0.211 HD ENDBRANCH 17 25 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 27 ATOM 27 C LIG 1 -0.542 -2.075 -2.104 0.00 0.00 +0.418 C ATOM 28 F LIG 1 -1.410 -2.623 -2.997 0.00 0.00 -0.166 F ATOM 29 F LIG 1 0.317 -3.069 -1.752 0.00 0.00 -0.166 F ATOM 30 F LIG 1 0.198 -1.174 -2.809 0.00 0.00 -0.166 F ENDBRANCH 8 27 BRANCH 6 31 ATOM 31 C LIG 1 -4.704 -1.298 0.713 0.00 0.00 +0.116 C BRANCH 31 32 ATOM 32 N LIG 1 -5.466 -0.152 0.217 0.00 0.00 -0.307 NA ATOM 33 H LIG 1 -5.147 0.068 -0.725 0.00 0.00 +0.123 HD BRANCH 32 34 ATOM 34 C LIG 1 -6.920 -0.358 0.330 0.00 0.00 +0.017 C ATOM 35 C LIG 1 -7.609 0.779 -0.484 0.00 0.00 +0.022 C ATOM 36 C LIG 1 -8.514 -0.305 -1.107 0.00 0.00 +0.004 C ATOM 37 C LIG 1 -7.409 -1.331 -0.780 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -7.436 -0.535 1.747 0.00 0.00 +0.027 C ENDBRANCH 32 34 ENDBRANCH 31 32 ENDBRANCH 6 31 TORSDOF 8