REMARK Name = BDB035845 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.045 0.788 -0.802 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.115 1.456 -1.210 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.334 2.168 -2.173 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.150 1.166 -0.209 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.464 1.593 -0.175 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.263 1.186 0.903 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.712 0.347 1.901 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.370 -0.082 1.850 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.602 0.349 0.773 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.170 0.068 0.447 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.678 0.053 -1.545 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.398 0.091 -0.934 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.298 0.780 -1.476 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.490 1.447 -2.686 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.730 1.428 -3.326 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.804 0.743 -2.762 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 -6.230 -2.438 -0.971 0.00 0.00 +0.120 C ATOM 18 C LIG 1 -6.183 -1.058 -1.666 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -4.892 -0.729 -0.847 0.00 0.00 +0.060 C ATOM 20 C LIG 1 -4.713 -2.284 -0.728 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 -5.236 -0.039 0.545 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -5.618 1.257 0.765 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.800 2.305 -0.200 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -5.780 1.376 2.111 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -5.516 0.228 2.688 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -5.169 -0.664 1.703 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 -6.626 -4.816 -1.207 0.00 0.00 +0.194 C ATOM 28 O LIG 1 -6.638 -3.533 -1.817 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.782 -0.967 2.917 0.00 0.00 +0.418 C ATOM 30 F LIG 1 1.275 -2.122 2.406 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.753 -0.365 3.572 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.675 -1.338 3.874 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.712 1.613 0.974 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.536 0.785 0.097 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 6.412 -0.194 0.351 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.949 1.170 0.135 0.00 0.00 +0.057 C ATOM 37 C LIG 1 8.864 0.569 1.169 0.00 0.00 +0.004 C ATOM 38 C LIG 1 9.920 1.404 1.808 0.00 0.00 +0.009 C ATOM 39 C LIG 1 8.990 0.163 -0.274 0.00 0.00 +0.023 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8