REMARK Name = BDB026304 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.339 1.025 -0.055 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.940 -0.332 -0.105 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.583 -0.673 -0.102 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.414 0.319 -0.054 0.00 0.00 +0.019 A ATOM 5 C LIG 1 -0.006 1.657 -0.006 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.900 2.648 0.028 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.354 2.013 -0.007 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -6.235 3.049 2.253 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -5.732 2.311 1.008 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -6.215 2.911 -0.273 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -5.889 4.333 -0.401 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.689 2.085 -1.403 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -6.146 2.575 -2.780 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -4.143 1.897 -1.379 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.728 1.314 -0.078 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -4.186 2.125 1.075 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 1.844 -0.047 -0.057 0.00 0.00 -0.012 A ATOM 18 C LIG 1 2.741 0.510 0.867 0.00 0.00 +0.047 A ATOM 19 C LIG 1 4.093 0.158 0.861 0.00 0.00 +0.136 A ATOM 20 F LIG 1 4.893 0.736 1.772 0.00 0.00 -0.205 F ATOM 21 C LIG 1 4.596 -0.759 -0.060 0.00 0.00 +0.072 A ATOM 22 C LIG 1 3.712 -1.323 -0.988 0.00 0.00 +0.016 A ATOM 23 C LIG 1 2.356 -0.972 -0.984 0.00 0.00 +0.009 A BRANCH 21 24 ATOM 24 C LIG 1 6.029 -1.166 -0.109 0.00 0.00 +0.247 C ATOM 25 N LIG 1 6.872 -0.656 0.857 0.00 0.00 -0.308 N ATOM 26 H LIG 1 6.515 0.062 1.480 0.00 0.00 +0.149 HD ATOM 27 O LIG 1 6.419 -1.927 -0.989 0.00 0.00 -0.270 OA BRANCH 25 28 ATOM 28 C LIG 1 8.305 -0.890 0.826 0.00 0.00 +0.074 C ATOM 29 C LIG 1 8.893 -0.771 2.237 0.00 0.00 +0.028 C ATOM 30 C LIG 1 10.408 -0.958 2.232 0.00 0.00 +0.077 C ATOM 31 C LIG 1 11.079 -0.005 1.257 0.00 0.00 +0.249 C ATOM 32 F LIG 1 10.935 1.267 1.711 0.00 0.00 -0.206 F ATOM 33 F LIG 1 12.411 -0.255 1.223 0.00 0.00 -0.206 F ATOM 34 C LIG 1 10.507 -0.100 -0.147 0.00 0.00 +0.077 C ATOM 35 C LIG 1 8.992 0.082 -0.145 0.00 0.00 +0.028 C ENDBRANCH 25 28 ENDBRANCH 21 24 ENDBRANCH 4 17 BRANCH 2 36 ATOM 36 N LIG 1 -2.994 -1.270 -0.149 0.00 0.00 -0.280 N ATOM 37 H LIG 1 -3.904 -0.811 -0.132 0.00 0.00 +0.155 HD ATOM 38 C LIG 1 -2.914 -2.638 -0.184 0.00 0.00 +0.250 C ATOM 39 O LIG 1 -1.903 -3.328 -0.171 0.00 0.00 -0.270 OA BRANCH 38 40 ATOM 40 C LIG 1 -4.255 -3.291 -0.182 0.00 0.00 +0.065 A ATOM 41 C LIG 1 -5.206 -3.211 -1.286 0.00 0.00 +0.073 A ATOM 42 C LIG 1 -6.386 -3.857 -1.185 0.00 0.00 +0.083 A ATOM 43 C LIG 1 -6.720 -4.639 0.031 0.00 0.00 +0.249 A ATOM 44 O LIG 1 -7.794 -5.216 0.138 0.00 0.00 -0.268 OA ATOM 45 N LIG 1 -5.754 -4.668 1.005 0.00 0.00 -0.328 N ATOM 46 H LIG 1 -5.973 -5.218 1.828 0.00 0.00 +0.168 HD ATOM 47 C LIG 1 -4.547 -4.020 0.906 0.00 0.00 +0.099 A BRANCH 41 48 ATOM 48 C LIG 1 -4.830 -2.446 -2.516 0.00 0.00 +0.418 C ATOM 49 F LIG 1 -4.818 -1.109 -2.279 0.00 0.00 -0.166 F ATOM 50 F LIG 1 -5.709 -2.640 -3.534 0.00 0.00 -0.166 F ATOM 51 F LIG 1 -3.609 -2.783 -2.992 0.00 0.00 -0.166 F ENDBRANCH 41 48 ENDBRANCH 38 40 ENDBRANCH 2 36 TORSDOF 7