REMARK Name = BDB032423 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.956 2.205 -0.598 0.00 0.00 -0.024 A ATOM 2 C LIG 1 -0.135 1.687 -1.604 0.00 0.00 +0.072 A ATOM 3 C LIG 1 1.212 2.014 -1.599 0.00 0.00 +0.215 A ATOM 4 N LIG 1 1.788 2.799 -0.668 0.00 0.00 -0.221 NA ATOM 5 C LIG 1 0.983 3.286 0.300 0.00 0.00 +0.115 A ATOM 6 C LIG 1 -0.375 3.023 0.376 0.00 0.00 +0.025 A ENDROOT BRANCH 1 7 ATOM 7 C LIG 1 -2.426 1.874 -0.546 0.00 0.00 +0.137 C BRANCH 7 8 ATOM 8 N LIG 1 -2.688 1.053 0.627 0.00 0.00 -0.340 N ATOM 9 H LIG 1 -1.956 0.365 0.790 0.00 0.00 +0.146 HD BRANCH 8 14 ATOM 10 C LIG 1 -7.765 -1.150 1.851 0.00 0.00 +0.124 A ATOM 11 C LIG 1 -6.529 -0.556 1.491 0.00 0.00 +0.022 A ATOM 12 C LIG 1 -5.363 -1.070 2.091 0.00 0.00 -0.011 A ATOM 13 C LIG 1 -4.108 -0.518 1.769 0.00 0.00 +0.031 A ATOM 14 C LIG 1 -3.963 0.521 0.838 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -5.126 1.052 0.280 0.00 0.00 +0.023 A ATOM 16 C LIG 1 -5.474 -2.121 3.004 0.00 0.00 +0.028 A ATOM 17 C LIG 1 -6.729 -2.627 3.283 0.00 0.00 +0.113 A ATOM 18 C LIG 1 -6.385 0.518 0.586 0.00 0.00 +0.014 A ATOM 19 N LIG 1 -7.865 -2.166 2.727 0.00 0.00 -0.240 NA BRANCH 10 20 ATOM 20 N LIG 1 -8.977 -0.698 1.303 0.00 0.00 -0.343 N ATOM 21 H LIG 1 -9.103 0.280 1.539 0.00 0.00 +0.144 HD ATOM 22 H LIG 1 -8.940 -0.790 0.293 0.00 0.00 +0.144 HD ENDBRANCH 10 20 ENDBRANCH 8 14 ENDBRANCH 7 8 ENDBRANCH 1 7 BRANCH 3 23 ATOM 23 O LIG 1 1.978 1.443 -2.594 0.00 0.00 -0.476 OA BRANCH 23 24 ATOM 24 C LIG 1 3.339 1.872 -2.652 0.00 0.00 +0.234 C BRANCH 24 25 ATOM 25 C LIG 1 4.303 0.788 -2.145 0.00 0.00 +0.035 C ATOM 26 C LIG 1 4.166 0.547 -0.630 0.00 0.00 +0.081 C ATOM 27 C LIG 1 5.002 -0.609 -0.186 0.00 0.00 +0.111 A ATOM 28 N LIG 1 5.412 -1.583 -1.058 0.00 0.00 -0.334 N ATOM 29 C LIG 1 6.118 -2.516 -0.359 0.00 0.00 +0.119 A ATOM 30 C LIG 1 6.115 -2.075 0.956 0.00 0.00 +0.162 A ATOM 31 C LIG 1 5.182 -1.558 -2.487 0.00 0.00 +0.123 C ATOM 32 N LIG 1 5.410 -0.878 1.036 0.00 0.00 -0.228 NA ATOM 33 C LIG 1 4.109 -0.546 -2.893 0.00 0.00 +0.029 C BRANCH 30 34 ATOM 34 C LIG 1 6.747 -2.716 2.158 0.00 0.00 +0.436 C ATOM 35 F LIG 1 7.752 -1.963 2.677 0.00 0.00 -0.164 F ATOM 36 F LIG 1 5.856 -2.939 3.160 0.00 0.00 -0.164 F ATOM 37 F LIG 1 7.293 -3.928 1.856 0.00 0.00 -0.164 F ENDBRANCH 30 34 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 3 23 TORSDOF 8