REMARK Name = BDB022382 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.581 1.358 -0.707 0.00 0.00 +0.033 A ATOM 2 C LIG 1 1.982 1.278 -0.701 0.00 0.00 +0.035 A ATOM 3 C LIG 1 2.739 1.297 0.492 0.00 0.00 +0.021 A ATOM 4 C LIG 1 4.221 1.163 0.469 0.00 0.00 +0.042 A ATOM 5 C LIG 1 4.871 1.312 1.631 0.00 0.00 +0.093 A ATOM 6 C LIG 1 4.197 1.538 2.927 0.00 0.00 +0.253 A ATOM 7 N LIG 1 2.814 1.571 2.925 0.00 0.00 -0.311 N ATOM 8 C LIG 1 2.131 1.767 4.194 0.00 0.00 +0.152 C ATOM 9 O LIG 1 4.897 1.667 3.931 0.00 0.00 -0.268 OA ATOM 10 C LIG 1 2.066 1.470 1.715 0.00 0.00 +0.054 A ATOM 11 C LIG 1 0.666 1.572 1.712 0.00 0.00 +0.028 A ATOM 12 C LIG 1 -0.060 1.519 0.518 0.00 0.00 +0.025 A ENDROOT BRANCH 1 13 ATOM 13 N LIG 1 -0.100 1.364 -1.940 0.00 0.00 -0.298 N ATOM 14 H LIG 1 0.505 1.159 -2.730 0.00 0.00 +0.154 HD BRANCH 13 17 ATOM 15 C LIG 1 -3.496 0.138 -1.574 0.00 0.00 +0.220 A ATOM 16 N LIG 1 -2.224 0.456 -1.286 0.00 0.00 -0.198 NA ATOM 17 C LIG 1 -1.438 1.000 -2.240 0.00 0.00 +0.147 A ATOM 18 C LIG 1 -1.933 1.244 -3.514 0.00 0.00 +0.099 A ATOM 19 CL LIG 1 -0.990 1.920 -4.782 0.00 0.00 -0.078 Cl ATOM 20 C LIG 1 -3.243 0.897 -3.728 0.00 0.00 +0.137 A ATOM 21 N LIG 1 -4.034 0.349 -2.785 0.00 0.00 -0.221 NA BRANCH 15 28 ATOM 22 C LIG 1 -6.426 -0.400 0.550 0.00 0.00 +0.075 C ATOM 23 C LIG 1 -5.938 -1.490 1.501 0.00 0.00 +0.255 C ATOM 24 F LIG 1 -6.193 -1.089 2.778 0.00 0.00 -0.205 F ATOM 25 F LIG 1 -6.649 -2.636 1.329 0.00 0.00 -0.205 F ATOM 26 C LIG 1 -4.465 -1.840 1.379 0.00 0.00 +0.094 C ATOM 27 C LIG 1 -3.687 -0.720 0.710 0.00 0.00 +0.114 C ATOM 28 N LIG 1 -4.274 -0.435 -0.592 0.00 0.00 -0.299 N ATOM 29 C LIG 1 -5.715 -0.546 -0.793 0.00 0.00 +0.117 C BRANCH 22 31 ATOM 30 C LIG 1 -8.634 -1.367 -0.423 0.00 0.00 +0.004 C ATOM 31 C LIG 1 -7.960 -0.312 0.444 0.00 0.00 +0.007 C ENDBRANCH 22 31 ENDBRANCH 15 28 ENDBRANCH 13 17 ENDBRANCH 1 13 BRANCH 4 32 ATOM 32 N LIG 1 4.824 0.881 -0.759 0.00 0.00 -0.334 N ATOM 33 H LIG 1 4.298 0.148 -1.242 0.00 0.00 +0.147 HD BRANCH 32 34 ATOM 34 C LIG 1 6.263 0.613 -0.965 0.00 0.00 +0.135 C ATOM 35 C LIG 1 6.605 0.910 -2.425 0.00 0.00 +0.036 C BRANCH 34 36 ATOM 36 C LIG 1 6.616 -0.838 -0.641 0.00 0.00 +0.149 A ATOM 37 N LIG 1 7.723 -1.069 0.096 0.00 0.00 -0.238 NA ATOM 38 C LIG 1 7.996 -2.356 0.380 0.00 0.00 +0.114 A ATOM 39 C LIG 1 7.222 -3.409 -0.045 0.00 0.00 +0.039 A ATOM 40 C LIG 1 6.123 -3.074 -0.799 0.00 0.00 +0.114 A ATOM 41 N LIG 1 5.797 -1.807 -1.117 0.00 0.00 -0.238 NA ENDBRANCH 34 36 ENDBRANCH 32 34 ENDBRANCH 4 32 TORSDOF 7