REMARK Name = BDB011429 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.641 -0.924 0.442 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.812 0.067 -0.093 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.445 -0.172 0.378 0.00 0.00 +0.059 A ATOM 4 C LIG 1 -1.798 0.425 0.208 0.00 0.00 +0.177 C ATOM 5 N LIG 1 -2.557 -0.435 1.169 0.00 0.00 -0.253 N ATOM 6 C LIG 1 -1.776 -1.502 1.679 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -2.101 -2.421 2.412 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.445 -1.261 1.194 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.857 -1.752 1.252 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.976 -0.391 1.256 0.00 0.00 +0.042 A ATOM 11 C LIG 1 -4.692 0.818 1.404 0.00 0.00 -0.029 A ATOM 12 C LIG 1 -4.042 2.148 1.665 0.00 0.00 +0.045 C ATOM 13 C LIG 1 -6.101 0.791 1.373 0.00 0.00 +0.006 A ATOM 14 C LIG 1 -6.795 -0.410 1.247 0.00 0.00 +0.020 A ATOM 15 C LIG 1 -6.088 -1.601 1.155 0.00 0.00 +0.043 A ATOM 16 CL LIG 1 -6.941 -3.088 1.004 0.00 0.00 -0.083 Cl ATOM 17 C LIG 1 -4.694 -1.596 1.164 0.00 0.00 +0.043 A ENDBRANCH 5 10 BRANCH 4 18 ATOM 18 C LIG 1 -2.313 0.320 -1.227 0.00 0.00 +0.068 A ATOM 19 N LIG 1 -2.387 -0.913 -1.802 0.00 0.00 -0.256 NA ATOM 20 C LIG 1 -2.856 -0.994 -3.070 0.00 0.00 +0.131 A ATOM 21 C LIG 1 -3.251 0.104 -3.813 0.00 0.00 +0.059 A ATOM 22 CL LIG 1 -3.829 -0.073 -5.418 0.00 0.00 -0.082 Cl ATOM 23 C LIG 1 -3.164 1.360 -3.227 0.00 0.00 +0.023 A ATOM 24 C LIG 1 -2.691 1.474 -1.919 0.00 0.00 +0.027 A ENDBRANCH 4 18 BRANCH 1 28 ATOM 25 C LIG 1 5.707 -1.450 -0.310 0.00 0.00 +0.321 A ATOM 26 N LIG 1 5.387 -0.679 0.739 0.00 0.00 -0.159 NA ATOM 27 C LIG 1 4.067 -0.520 0.971 0.00 0.00 +0.230 A ATOM 28 C LIG 1 3.069 -1.075 0.185 0.00 0.00 +0.078 A ATOM 29 C LIG 1 3.531 -1.863 -0.850 0.00 0.00 +0.131 A ATOM 30 N LIG 1 4.836 -2.055 -1.128 0.00 0.00 -0.202 NA BRANCH 25 32 ATOM 31 C LIG 1 7.930 -1.071 0.299 0.00 0.00 +0.280 C ATOM 32 O LIG 1 7.031 -1.663 -0.629 0.00 0.00 -0.466 OA ENDBRANCH 25 32 BRANCH 27 33 ATOM 33 O LIG 1 3.671 0.272 2.036 0.00 0.00 -0.479 OA ATOM 34 C LIG 1 4.750 0.712 2.853 0.00 0.00 +0.279 C ENDBRANCH 27 33 ENDBRANCH 1 28 BRANCH 2 35 ATOM 35 C LIG 1 1.148 1.154 -1.013 0.00 0.00 +0.081 C ATOM 36 C LIG 1 1.419 0.656 -2.431 0.00 0.00 +0.030 C ATOM 37 C LIG 1 2.254 2.081 -0.511 0.00 0.00 +0.030 C ENDBRANCH 2 35 TORSDOF 6