REMARK Name = BDB062035 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.258 -0.826 0.042 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.865 -1.286 -0.651 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.972 -2.051 -1.593 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.038 -0.662 -0.028 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.371 -0.806 -0.369 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.319 -0.093 0.375 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.887 0.747 1.431 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.526 0.878 1.770 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.610 0.154 1.012 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.119 0.090 1.115 0.00 0.00 +0.150 C ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -3.326 -2.310 -1.559 0.00 0.00 +0.029 A ATOM 12 C LIG 1 -4.312 -1.726 -0.758 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -4.010 -0.889 0.333 0.00 0.00 -0.037 A ATOM 14 C LIG 1 -2.642 -0.647 0.581 0.00 0.00 +0.027 A ATOM 15 C LIG 1 -1.615 -1.160 -0.223 0.00 0.00 +0.039 A ATOM 16 C LIG 1 -1.986 -1.981 -1.292 0.00 0.00 +0.046 A BRANCH 13 17 ATOM 17 C LIG 1 -5.158 -0.180 1.219 0.00 0.00 +0.003 C ATOM 18 C LIG 1 -4.940 -0.171 2.777 0.00 0.00 +0.012 C ATOM 19 C LIG 1 -6.438 -0.471 2.951 0.00 0.00 +0.002 C ATOM 20 C LIG 1 -6.428 -1.055 1.529 0.00 0.00 +0.012 C BRANCH 17 21 ATOM 21 C LIG 1 -5.531 1.190 0.596 0.00 0.00 +0.088 C BRANCH 21 22 ATOM 22 C LIG 1 -4.365 2.117 0.491 0.00 0.00 +0.134 A ATOM 23 N LIG 1 -3.749 2.490 -0.677 0.00 0.00 -0.320 N ATOM 24 C LIG 1 -4.099 2.116 -2.020 0.00 0.00 +0.151 C ATOM 25 C LIG 1 -2.701 3.280 -0.317 0.00 0.00 +0.224 A ATOM 26 N LIG 1 -2.670 3.398 0.989 0.00 0.00 -0.138 NA ATOM 27 N LIG 1 -3.722 2.676 1.497 0.00 0.00 -0.135 NA ENDBRANCH 21 22 ENDBRANCH 17 21 ENDBRANCH 13 17 BRANCH 11 28 ATOM 28 N LIG 1 -3.610 -3.083 -2.689 0.00 0.00 -0.344 N ATOM 29 H LIG 1 -2.800 -3.630 -2.980 0.00 0.00 +0.146 HD BRANCH 28 31 ATOM 30 C LIG 1 -4.876 -5.028 -1.857 0.00 0.00 +0.024 C ATOM 31 C LIG 1 -4.853 -3.839 -2.805 0.00 0.00 +0.098 C ENDBRANCH 28 31 ENDBRANCH 11 28 ENDBRANCH 1 15 BRANCH 8 32 ATOM 32 C LIG 1 2.080 1.792 2.880 0.00 0.00 +0.418 C ATOM 33 F LIG 1 1.140 1.217 3.680 0.00 0.00 -0.166 F ATOM 34 F LIG 1 3.090 2.173 3.709 0.00 0.00 -0.166 F ATOM 35 F LIG 1 1.524 2.939 2.409 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 5.792 -0.193 0.044 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 6.255 1.055 -0.562 0.00 0.00 -0.307 NA ATOM 38 H LIG 1 5.757 1.190 -1.442 0.00 0.00 +0.123 HD BRANCH 37 39 ATOM 39 C LIG 1 7.723 1.119 -0.692 0.00 0.00 +0.017 C ATOM 40 C LIG 1 8.354 1.511 0.674 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.157 2.995 0.303 0.00 0.00 +0.004 C ATOM 42 C LIG 1 8.066 2.561 -1.173 0.00 0.00 +0.022 C ATOM 43 C LIG 1 8.350 0.005 -1.503 0.00 0.00 +0.027 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 10