REMARK Name = BDB013328 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.777 0.401 0.128 0.00 0.00 -0.290 N ATOM 2 C LIG 1 -0.596 -0.163 0.002 0.00 0.00 +0.114 C ATOM 3 C LIG 1 -1.750 0.679 0.632 0.00 0.00 +0.045 C ATOM 4 C LIG 1 -1.238 1.768 1.574 0.00 0.00 +0.026 C ATOM 5 C LIG 1 -0.128 2.614 0.929 0.00 0.00 +0.055 C ATOM 6 C LIG 1 0.312 3.652 1.990 0.00 0.00 +0.021 C ATOM 7 C LIG 1 1.046 1.682 0.625 0.00 0.00 +0.223 C ATOM 8 O LIG 1 2.201 2.072 0.811 0.00 0.00 -0.275 OA ENDROOT BRANCH 2 9 ATOM 9 C LIG 1 -0.970 -0.509 -1.444 0.00 0.00 -0.026 A ATOM 10 C LIG 1 -1.803 -1.615 -1.696 0.00 0.00 +0.007 A ATOM 11 C LIG 1 -2.186 -1.942 -2.999 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -1.742 -1.167 -4.066 0.00 0.00 +0.041 A ATOM 13 CL LIG 1 -2.215 -1.567 -5.670 0.00 0.00 -0.084 Cl ATOM 14 C LIG 1 -0.916 -0.069 -3.840 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -0.533 0.258 -2.536 0.00 0.00 +0.007 A ENDBRANCH 2 9 BRANCH 3 16 ATOM 16 C LIG 1 -2.793 -0.189 1.336 0.00 0.00 -0.041 A ATOM 17 C LIG 1 -2.470 -0.960 2.466 0.00 0.00 +0.024 A ATOM 18 C LIG 1 -3.442 -1.751 3.082 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 -3.023 -2.692 4.460 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 -4.742 -1.788 2.588 0.00 0.00 +0.020 A ATOM 21 C LIG 1 -5.076 -1.027 1.469 0.00 0.00 +0.002 A ATOM 22 C LIG 1 -4.109 -0.233 0.848 0.00 0.00 +0.004 A ENDBRANCH 3 16 BRANCH 1 23 ATOM 23 C LIG 1 1.940 -0.546 0.170 0.00 0.00 +0.079 C BRANCH 23 25 ATOM 24 C LIG 1 3.442 -1.008 2.199 0.00 0.00 +0.006 C ATOM 25 C LIG 1 2.051 -1.147 1.597 0.00 0.00 +0.019 C ENDBRANCH 23 25 BRANCH 23 26 ATOM 26 C LIG 1 1.913 -1.641 -0.918 0.00 0.00 +0.063 C BRANCH 26 27 ATOM 27 C LIG 1 3.187 -2.485 -1.061 0.00 0.00 +0.220 C BRANCH 27 28 ATOM 28 C LIG 1 4.394 -1.689 -1.587 0.00 0.00 +0.415 C ATOM 29 F LIG 1 4.112 -1.030 -2.729 0.00 0.00 -0.168 F ATOM 30 F LIG 1 4.848 -0.798 -0.685 0.00 0.00 -0.168 F ATOM 31 F LIG 1 5.413 -2.545 -1.853 0.00 0.00 -0.168 F ENDBRANCH 27 28 BRANCH 27 32 ATOM 32 O LIG 1 2.859 -3.595 -1.929 0.00 0.00 -0.383 OA ATOM 33 H LIG 1 3.698 -4.018 -2.194 0.00 0.00 +0.210 HD ENDBRANCH 27 32 ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 1 23 BRANCH 5 34 ATOM 34 C LIG 1 -0.602 3.349 -0.337 0.00 0.00 +0.136 C BRANCH 34 35 ATOM 35 C LIG 1 0.481 4.167 -0.990 0.00 0.00 +0.306 C ATOM 36 O LIG 1 0.731 5.339 -0.766 0.00 0.00 -0.251 OA BRANCH 35 37 ATOM 37 O LIG 1 1.192 3.463 -1.888 0.00 0.00 -0.481 OA ATOM 38 H LIG 1 1.910 4.075 -2.159 0.00 0.00 +0.295 HD ENDBRANCH 35 37 ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 11