REMARK Name = BDB035644 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.389 -0.887 0.378 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.678 -1.375 0.628 0.00 0.00 +0.251 C ATOM 3 O LIG 1 2.083 -2.198 1.427 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.584 -0.684 -0.299 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.953 -0.822 -0.435 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.601 -0.047 -1.409 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.847 0.853 -2.199 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.453 0.984 -2.044 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.839 0.192 -1.077 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.401 0.109 -0.684 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.243 -1.062 1.338 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.039 -0.686 0.706 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -0.810 -1.289 1.030 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -0.817 -2.290 2.007 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.004 -2.687 2.631 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.210 -2.081 2.296 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.554 -0.374 0.957 0.00 0.00 +0.089 C BRANCH 17 20 ATOM 18 C LIG 1 -3.772 1.875 2.979 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -4.960 1.067 3.026 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.337 0.066 2.164 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -6.480 -0.435 2.592 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -6.859 0.246 3.722 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -5.934 1.141 3.974 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.360 -1.292 0.014 0.00 0.00 +0.050 C BRANCH 24 25 ATOM 25 C LIG 1 -6.643 -0.694 -0.585 0.00 0.00 +0.145 C ATOM 26 O LIG 1 -7.183 -1.700 -1.473 0.00 0.00 -0.372 OA ATOM 27 C LIG 1 -8.053 -1.163 -2.478 0.00 0.00 +0.188 C ATOM 28 C LIG 1 -8.649 0.185 -2.085 0.00 0.00 +0.188 C ATOM 29 O LIG 1 -7.630 1.174 -1.889 0.00 0.00 -0.375 OA ATOM 30 C LIG 1 -6.420 0.626 -1.342 0.00 0.00 +0.191 C ENDBRANCH 24 25 ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 31 ATOM 31 C LIG 1 1.648 1.940 -2.883 0.00 0.00 +0.418 C ATOM 32 F LIG 1 0.966 2.841 -2.123 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.706 1.301 -3.629 0.00 0.00 -0.166 F ATOM 34 F LIG 1 2.393 2.669 -3.756 0.00 0.00 -0.166 F ENDBRANCH 8 31 BRANCH 6 35 ATOM 35 C LIG 1 6.101 -0.151 -1.578 0.00 0.00 +0.116 C BRANCH 35 36 ATOM 36 N LIG 1 6.775 0.639 -0.551 0.00 0.00 -0.307 NA ATOM 37 H LIG 1 6.530 1.621 -0.675 0.00 0.00 +0.123 HD BRANCH 36 38 ATOM 38 C LIG 1 8.227 0.387 -0.495 0.00 0.00 +0.017 C ATOM 39 C LIG 1 8.503 -0.929 0.286 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.495 -0.116 1.596 0.00 0.00 +0.004 C ATOM 41 C LIG 1 8.766 1.147 0.754 0.00 0.00 +0.022 C ATOM 42 C LIG 1 8.978 0.654 -1.783 0.00 0.00 +0.027 C ENDBRANCH 36 38 ENDBRANCH 35 36 ENDBRANCH 6 35 TORSDOF 9