REMARK Name = BDB035384 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.692 -1.297 0.089 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.497 -1.999 -0.148 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.703 -3.079 -0.669 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.594 -1.170 0.367 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.952 -1.433 0.360 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.808 -0.472 0.914 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.265 0.722 1.450 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.880 0.973 1.450 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.057 -0.003 0.896 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.429 -0.024 0.747 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.457 -1.280 -0.258 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.123 -0.909 0.039 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.009 -1.728 -0.237 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.249 -2.966 -0.836 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.547 -3.371 -1.147 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.627 -2.541 -0.861 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.726 -0.340 0.046 0.00 0.00 +0.058 C ATOM 18 C LIG 1 -5.585 0.822 1.085 0.00 0.00 +0.037 C ATOM 19 C LIG 1 -6.915 0.401 1.743 0.00 0.00 +0.094 C ATOM 20 C LIG 1 -6.798 -0.952 1.019 0.00 0.00 +0.037 C BRANCH 17 23 ATOM 21 C LIG 1 -4.443 1.439 -2.342 0.00 0.00 +0.151 C ATOM 22 N LIG 1 -5.774 0.900 -2.307 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -6.359 0.147 -1.326 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -7.577 -0.175 -1.710 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 -7.795 0.382 -2.946 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 -6.705 1.024 -3.291 0.00 0.00 +0.224 A ENDBRANCH 17 23 BRANCH 19 27 ATOM 27 C LIG 1 -8.062 1.228 1.424 0.00 0.00 +0.066 C ATOM 28 N LIG 1 -8.961 1.931 1.220 0.00 0.00 -0.196 NA ENDBRANCH 19 27 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.304 2.244 2.011 0.00 0.00 +0.418 C ATOM 30 F LIG 1 0.627 2.958 1.069 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.401 2.001 3.002 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.227 3.090 2.540 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.306 -0.691 0.926 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.955 0.242 0.006 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.644 0.028 -0.942 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.423 0.266 0.158 0.00 0.00 +0.017 C ATOM 37 C LIG 1 7.810 1.147 1.379 0.00 0.00 +0.022 C ATOM 38 C LIG 1 7.787 2.381 0.455 0.00 0.00 +0.004 C ATOM 39 C LIG 1 7.946 1.424 -0.743 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.114 -1.066 -0.042 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8