REMARK Name = BDB027385 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.982 0.018 -1.151 0.00 0.00 -0.003 A ATOM 2 C LIG 1 0.300 0.566 -0.993 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.358 1.961 -0.850 0.00 0.00 +0.134 A ATOM 4 N LIG 1 -0.695 2.811 -0.831 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 -1.924 2.273 -0.964 0.00 0.00 +0.071 A ATOM 6 C LIG 1 -2.090 0.900 -1.147 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 -3.054 3.225 -0.928 0.00 0.00 +0.001 A ATOM 8 C LIG 1 -4.309 2.875 -0.390 0.00 0.00 +0.013 A ATOM 9 C LIG 1 -5.368 3.788 -0.368 0.00 0.00 +0.039 A ATOM 10 C LIG 1 -5.184 5.065 -0.880 0.00 0.00 +0.123 A ATOM 11 F LIG 1 -6.199 5.938 -0.858 0.00 0.00 -0.205 F ATOM 12 C LIG 1 -3.961 5.449 -1.408 0.00 0.00 +0.039 A ATOM 13 C LIG 1 -2.904 4.534 -1.429 0.00 0.00 +0.013 A ENDBRANCH 5 7 BRANCH 2 14 ATOM 14 N LIG 1 1.517 -0.125 -0.993 0.00 0.00 -0.326 N ATOM 15 C LIG 1 1.762 -1.017 0.167 0.00 0.00 +0.133 C ATOM 16 C LIG 1 3.263 -1.460 0.266 0.00 0.00 +0.075 C ATOM 17 C LIG 1 3.725 -1.976 -1.124 0.00 0.00 +0.031 C ATOM 18 C LIG 1 3.427 -0.980 -2.247 0.00 0.00 +0.021 C ATOM 19 C LIG 1 1.940 -0.641 -2.298 0.00 0.00 +0.105 C BRANCH 16 20 ATOM 20 C LIG 1 4.246 -0.385 0.769 0.00 0.00 +0.064 A ATOM 21 N LIG 1 5.485 -0.845 1.112 0.00 0.00 -0.238 NA ATOM 22 C LIG 1 6.386 0.050 1.568 0.00 0.00 +0.130 A ATOM 23 CL LIG 1 7.914 -0.618 1.965 0.00 0.00 -0.062 Cl ATOM 24 C LIG 1 6.138 1.398 1.722 0.00 0.00 +0.040 A ATOM 25 C LIG 1 4.874 1.861 1.384 0.00 0.00 +0.005 A ATOM 26 C LIG 1 3.918 0.963 0.906 0.00 0.00 +0.025 A ENDBRANCH 16 20 BRANCH 16 27 ATOM 27 N LIG 1 3.348 -2.629 1.193 0.00 0.00 -0.319 NA ATOM 28 H LIG 1 4.346 -2.862 1.254 0.00 0.00 +0.119 HD ATOM 29 H LIG 1 3.120 -2.304 2.133 0.00 0.00 +0.119 HD ENDBRANCH 16 27 ENDBRANCH 2 14 BRANCH 1 30 ATOM 30 C LIG 1 -1.246 -1.448 -1.410 0.00 0.00 +0.161 C BRANCH 30 35 ATOM 31 C LIG 1 -3.566 -3.154 2.495 0.00 0.00 +0.147 A ATOM 32 C LIG 1 -3.401 -2.795 1.147 0.00 0.00 +0.147 A ATOM 33 N LIG 1 -4.246 -2.854 0.056 0.00 0.00 -0.231 NA ATOM 34 C LIG 1 -3.531 -2.391 -0.948 0.00 0.00 +0.202 A ATOM 35 N LIG 1 -2.279 -2.000 -0.547 0.00 0.00 -0.310 N ATOM 36 C LIG 1 -2.171 -2.264 0.791 0.00 0.00 +0.166 A ATOM 37 N LIG 1 -1.115 -2.052 1.593 0.00 0.00 -0.216 NA ATOM 38 C LIG 1 -1.393 -2.425 2.859 0.00 0.00 +0.225 A ATOM 39 N LIG 1 -2.540 -2.944 3.350 0.00 0.00 -0.219 NA BRANCH 31 40 ATOM 40 N LIG 1 -4.740 -3.698 3.000 0.00 0.00 -0.341 N ATOM 41 H LIG 1 -4.828 -3.561 3.998 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 -5.552 -3.520 2.421 0.00 0.00 +0.144 HD ENDBRANCH 31 40 ENDBRANCH 30 35 ENDBRANCH 1 30 TORSDOF 7