REMARK Name = BDB060807 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.382 -0.531 0.176 0.00 0.00 +0.103 C ATOM 2 C LIG 1 -1.529 -1.374 -0.430 0.00 0.00 +0.134 C ATOM 3 C LIG 1 -2.892 -0.752 -0.633 0.00 0.00 +0.003 A ATOM 4 C LIG 1 -3.832 -1.401 0.171 0.00 0.00 +0.039 A ATOM 5 C LIG 1 -5.163 -1.041 0.205 0.00 0.00 +0.023 A ATOM 6 C LIG 1 -5.565 0.012 -0.618 0.00 0.00 +0.002 A ATOM 7 C LIG 1 -4.640 0.664 -1.451 0.00 0.00 +0.000 A ATOM 8 N LIG 1 -3.235 -2.426 0.884 0.00 0.00 -0.283 N ATOM 9 H LIG 1 -3.702 -3.051 1.524 0.00 0.00 +0.155 HD ATOM 10 C LIG 1 -3.296 0.280 -1.469 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -1.881 -2.518 0.601 0.00 0.00 +0.243 C ATOM 12 O LIG 1 -1.111 -3.337 1.083 0.00 0.00 -0.273 OA ATOM 13 N LIG 1 -1.016 -1.996 -1.676 0.00 0.00 -0.288 NA ATOM 14 H LIG 1 -1.163 -1.351 -2.456 0.00 0.00 +0.124 HD ATOM 15 C LIG 1 0.459 -2.154 -1.462 0.00 0.00 +0.168 C ATOM 16 C LIG 1 0.847 -0.856 -0.719 0.00 0.00 +0.058 C ENDROOT BRANCH 16 17 ATOM 17 C LIG 1 2.141 -0.915 0.091 0.00 0.00 -0.034 A ATOM 18 C LIG 1 3.148 0.100 0.006 0.00 0.00 -0.014 A ATOM 19 C LIG 1 4.315 -0.032 0.807 0.00 0.00 -0.018 A ATOM 20 C LIG 1 5.332 0.936 0.756 0.00 0.00 +0.008 A ATOM 21 C LIG 1 5.225 2.050 -0.071 0.00 0.00 +0.001 A ATOM 22 C LIG 1 4.096 2.207 -0.858 0.00 0.00 +0.001 A ATOM 23 C LIG 1 4.464 -1.130 1.664 0.00 0.00 +0.008 A ATOM 24 C LIG 1 3.476 -2.101 1.756 0.00 0.00 +0.001 A ATOM 25 C LIG 1 3.077 1.250 -0.821 0.00 0.00 +0.009 A ATOM 26 C LIG 1 2.327 -1.992 0.983 0.00 0.00 +0.004 A ENDBRANCH 16 17 BRANCH 1 30 ATOM 27 C LIG 1 -1.566 4.359 1.282 0.00 0.00 +0.071 C ATOM 28 C LIG 1 -1.148 3.062 0.698 0.00 0.00 +0.111 A ATOM 29 C LIG 1 -1.152 1.768 1.276 0.00 0.00 +0.191 A ATOM 30 C LIG 1 -0.659 0.939 0.289 0.00 0.00 +0.174 A ATOM 31 O LIG 1 -0.408 1.696 -0.817 0.00 0.00 -0.357 OA ATOM 32 N LIG 1 -0.704 3.016 -0.565 0.00 0.00 -0.081 NA BRANCH 29 33 ATOM 33 N LIG 1 -1.586 1.384 2.580 0.00 0.00 +0.062 N ATOM 34 O LIG 1 -1.752 0.177 2.788 0.00 0.00 -0.126 OA ATOM 35 O LIG 1 -1.780 2.290 3.399 0.00 0.00 -0.126 OA ENDBRANCH 29 33 ENDBRANCH 1 30 BRANCH 15 36 ATOM 36 C LIG 1 1.298 -2.339 -2.747 0.00 0.00 +0.405 C ATOM 37 F LIG 1 0.945 -3.466 -3.405 0.00 0.00 -0.169 F ATOM 38 F LIG 1 1.105 -1.299 -3.595 0.00 0.00 -0.169 F ATOM 39 F LIG 1 2.618 -2.418 -2.487 0.00 0.00 -0.169 F ENDBRANCH 15 36 TORSDOF 4