REMARK Name = BDB063063 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.069 -0.991 -1.692 0.00 0.00 +0.056 A ATOM 2 C LIG 1 -0.363 -1.376 -2.966 0.00 0.00 +0.056 A ATOM 3 CL LIG 1 0.606 -2.320 -4.037 0.00 0.00 -0.083 Cl ATOM 4 C LIG 1 -1.610 -0.950 -3.428 0.00 0.00 +0.059 A ATOM 5 C LIG 1 -2.414 -0.143 -2.624 0.00 0.00 +0.137 A ATOM 6 F LIG 1 -3.602 0.243 -3.114 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.996 0.257 -1.353 0.00 0.00 +0.073 A ATOM 8 C LIG 1 -0.746 -0.178 -0.887 0.00 0.00 +0.030 A ENDROOT BRANCH 1 11 ATOM 9 N LIG 1 2.223 -0.424 -0.803 0.00 0.00 -0.281 N ATOM 10 H LIG 1 1.900 0.516 -0.987 0.00 0.00 +0.155 HD ATOM 11 C LIG 1 1.363 -1.452 -1.141 0.00 0.00 +0.250 C ATOM 12 O LIG 1 1.534 -2.655 -1.018 0.00 0.00 -0.270 OA BRANCH 9 15 ATOM 13 C LIG 1 3.683 2.022 -0.233 0.00 0.00 +0.045 C ATOM 14 C LIG 1 4.240 0.648 0.037 0.00 0.00 -0.029 A ATOM 15 C LIG 1 3.519 -0.531 -0.243 0.00 0.00 +0.037 A ATOM 16 C LIG 1 4.112 -1.765 0.043 0.00 0.00 +0.024 A ATOM 17 C LIG 1 5.397 -1.842 0.595 0.00 0.00 +0.015 A ATOM 18 C LIG 1 6.125 -0.684 0.877 0.00 0.00 +0.039 A ATOM 19 C LIG 1 5.533 0.554 0.592 0.00 0.00 +0.018 A BRANCH 18 20 ATOM 20 C LIG 1 7.464 -0.731 1.450 0.00 0.00 +0.248 A ATOM 21 O LIG 1 7.999 -1.967 1.719 0.00 0.00 -0.423 OA ATOM 22 C LIG 1 9.216 -1.632 2.228 0.00 0.00 +0.332 A ATOM 23 N LIG 1 9.427 -0.339 2.276 0.00 0.00 -0.116 NA ATOM 24 N LIG 1 8.286 0.251 1.769 0.00 0.00 -0.108 NA ENDBRANCH 18 20 ENDBRANCH 9 15 ENDBRANCH 1 11 BRANCH 7 25 ATOM 25 C LIG 1 -2.809 1.134 -0.466 0.00 0.00 +0.247 C ATOM 26 N LIG 1 -4.072 1.474 -0.887 0.00 0.00 -0.307 N ATOM 27 H LIG 1 -4.446 1.067 -1.737 0.00 0.00 +0.149 HD ATOM 28 O LIG 1 -2.331 1.518 0.597 0.00 0.00 -0.270 OA BRANCH 26 29 ATOM 29 C LIG 1 -4.982 2.229 -0.056 0.00 0.00 +0.140 C BRANCH 29 30 ATOM 30 C LIG 1 -5.955 1.310 0.637 0.00 0.00 -0.027 A ATOM 31 C LIG 1 -5.580 0.649 1.819 0.00 0.00 +0.046 A ATOM 32 C LIG 1 -6.470 -0.219 2.445 0.00 0.00 +0.159 A ATOM 33 F LIG 1 -6.099 -0.841 3.572 0.00 0.00 -0.202 F ATOM 34 C LIG 1 -7.730 -0.442 1.905 0.00 0.00 +0.158 A ATOM 35 F LIG 1 -8.585 -1.278 2.508 0.00 0.00 -0.202 F ATOM 36 C LIG 1 -8.116 0.197 0.731 0.00 0.00 +0.041 A ATOM 37 C LIG 1 -7.229 1.069 0.095 0.00 0.00 +0.008 A ENDBRANCH 29 30 ENDBRANCH 26 29 ENDBRANCH 7 25 TORSDOF 6