REMARK Name = BDB063059 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.657 -0.020 -0.989 0.00 0.00 +0.056 A ATOM 2 C LIG 1 -1.474 0.115 -2.371 0.00 0.00 +0.056 A ATOM 3 CL LIG 1 -0.041 -0.385 -3.195 0.00 0.00 -0.083 Cl ATOM 4 C LIG 1 -2.495 0.653 -3.159 0.00 0.00 +0.059 A ATOM 5 C LIG 1 -3.697 1.050 -2.575 0.00 0.00 +0.137 A ATOM 6 F LIG 1 -4.644 1.558 -3.379 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -3.910 0.919 -1.204 0.00 0.00 +0.073 A ATOM 8 C LIG 1 -2.882 0.375 -0.417 0.00 0.00 +0.030 A ENDROOT BRANCH 1 11 ATOM 9 N LIG 1 0.662 -0.201 -0.266 0.00 0.00 -0.281 N ATOM 10 H LIG 1 0.841 0.387 -1.071 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 -0.646 -0.592 -0.054 0.00 0.00 +0.250 C ATOM 12 O LIG 1 -1.057 -1.318 0.843 0.00 0.00 -0.270 OA BRANCH 9 18 ATOM 13 C LIG 1 6.161 -0.643 1.507 0.00 0.00 +0.228 A ATOM 14 O LIG 1 5.359 -1.364 2.358 0.00 0.00 -0.435 OA ATOM 15 C LIG 1 4.104 -1.193 1.854 0.00 0.00 +0.156 A ATOM 16 C LIG 1 4.202 -0.387 0.736 0.00 0.00 +0.112 A ATOM 17 C LIG 1 3.037 -0.060 0.029 0.00 0.00 +0.055 A ATOM 18 C LIG 1 1.803 -0.564 0.483 0.00 0.00 +0.036 A ATOM 19 C LIG 1 1.759 -1.378 1.626 0.00 0.00 +0.027 A ATOM 20 C LIG 1 2.918 -1.716 2.345 0.00 0.00 +0.050 A ATOM 21 N LIG 1 5.513 -0.042 0.522 0.00 0.00 -0.209 NA BRANCH 13 25 ATOM 22 C LIG 1 10.762 0.898 0.329 0.00 0.00 +0.044 C ATOM 23 C LIG 1 9.850 0.099 1.212 0.00 0.00 -0.050 A ATOM 24 C LIG 1 8.469 0.077 0.968 0.00 0.00 +0.016 A ATOM 25 C LIG 1 7.593 -0.640 1.800 0.00 0.00 +0.037 A ATOM 26 C LIG 1 8.128 -1.331 2.896 0.00 0.00 +0.013 A ATOM 27 C LIG 1 9.500 -1.303 3.156 0.00 0.00 +0.001 A ATOM 28 C LIG 1 10.356 -0.587 2.320 0.00 0.00 +0.003 A ENDBRANCH 13 25 ENDBRANCH 9 18 ENDBRANCH 1 11 BRANCH 7 29 ATOM 29 C LIG 1 -5.175 1.331 -0.532 0.00 0.00 +0.247 C ATOM 30 N LIG 1 -6.188 1.819 -1.325 0.00 0.00 -0.307 N ATOM 31 H LIG 1 -6.087 1.809 -2.333 0.00 0.00 +0.149 HD ATOM 32 O LIG 1 -5.276 1.222 0.685 0.00 0.00 -0.270 OA BRANCH 30 33 ATOM 33 C LIG 1 -7.492 2.137 -0.790 0.00 0.00 +0.140 C BRANCH 33 34 ATOM 34 C LIG 1 -8.448 0.992 -1.004 0.00 0.00 -0.027 A ATOM 35 C LIG 1 -9.294 0.964 -2.122 0.00 0.00 +0.046 A ATOM 36 C LIG 1 -10.152 -0.116 -2.317 0.00 0.00 +0.159 A ATOM 37 F LIG 1 -10.956 -0.127 -3.389 0.00 0.00 -0.202 F ATOM 38 C LIG 1 -10.175 -1.172 -1.414 0.00 0.00 +0.158 A ATOM 39 F LIG 1 -11.001 -2.209 -1.609 0.00 0.00 -0.202 F ATOM 40 C LIG 1 -9.337 -1.165 -0.305 0.00 0.00 +0.041 A ATOM 41 C LIG 1 -8.472 -0.087 -0.102 0.00 0.00 +0.008 A ENDBRANCH 33 34 ENDBRANCH 30 33 ENDBRANCH 7 29 TORSDOF 6