REMARK Name = BDB049288 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.069 1.479 0.528 0.00 0.00 +0.129 A ATOM 2 C LIG 1 0.679 2.633 0.762 0.00 0.00 +0.054 A ATOM 3 C LIG 1 1.933 2.563 1.391 0.00 0.00 -0.014 A ATOM 4 C LIG 1 2.450 1.308 1.798 0.00 0.00 -0.006 A ATOM 5 C LIG 1 3.737 1.287 2.396 0.00 0.00 +0.045 A ATOM 6 C LIG 1 4.448 2.469 2.646 0.00 0.00 +0.014 A ATOM 7 C LIG 1 3.917 3.691 2.253 0.00 0.00 +0.001 A ATOM 8 C LIG 1 1.646 0.161 1.590 0.00 0.00 +0.013 A ATOM 9 C LIG 1 2.675 3.735 1.621 0.00 0.00 +0.008 A ATOM 10 C LIG 1 0.400 0.245 0.965 0.00 0.00 +0.047 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 4.386 0.035 2.827 0.00 0.00 +0.249 C ATOM 12 N LIG 1 4.741 -0.953 1.936 0.00 0.00 -0.281 N ATOM 13 H LIG 1 4.999 -1.800 2.430 0.00 0.00 +0.155 HD ATOM 14 O LIG 1 4.578 -0.135 4.030 0.00 0.00 -0.270 OA BRANCH 12 15 ATOM 15 C LIG 1 4.827 -0.997 0.533 0.00 0.00 +0.034 A ATOM 16 C LIG 1 4.807 0.118 -0.306 0.00 0.00 +0.025 A ATOM 17 C LIG 1 4.894 -0.033 -1.695 0.00 0.00 +0.022 A ATOM 18 C LIG 1 5.017 -1.302 -2.252 0.00 0.00 +0.041 A ATOM 19 CL LIG 1 5.118 -1.483 -3.959 0.00 0.00 -0.084 Cl ATOM 20 C LIG 1 5.067 -2.422 -1.430 0.00 0.00 +0.022 A ATOM 21 C LIG 1 4.980 -2.267 -0.043 0.00 0.00 +0.025 A ENDBRANCH 12 15 ENDBRANCH 5 11 BRANCH 1 22 ATOM 22 O LIG 1 -1.291 1.646 -0.083 0.00 0.00 -0.455 OA BRANCH 22 31 ATOM 23 C LIG 1 -5.274 -1.414 -0.796 0.00 0.00 +0.164 A ATOM 24 C LIG 1 -4.960 -0.487 0.207 0.00 0.00 +0.162 A ATOM 25 C LIG 1 -3.752 0.214 0.144 0.00 0.00 +0.063 A ATOM 26 C LIG 1 -2.862 0.042 -0.935 0.00 0.00 +0.046 A ATOM 27 C LIG 1 -3.191 -0.863 -1.959 0.00 0.00 +0.078 A ATOM 28 N LIG 1 -2.392 -1.074 -3.020 0.00 0.00 -0.255 NA ATOM 29 C LIG 1 -1.236 -0.380 -3.105 0.00 0.00 +0.115 A ATOM 30 C LIG 1 -0.817 0.529 -2.159 0.00 0.00 +0.066 A ATOM 31 C LIG 1 -1.637 0.724 -1.052 0.00 0.00 +0.139 A ATOM 32 C LIG 1 -4.383 -1.572 -1.868 0.00 0.00 +0.077 A BRANCH 23 34 ATOM 33 C LIG 1 -6.709 -3.142 -1.620 0.00 0.00 +0.277 C ATOM 34 O LIG 1 -6.431 -2.133 -0.657 0.00 0.00 -0.491 OA ENDBRANCH 23 34 BRANCH 24 35 ATOM 35 O LIG 1 -5.700 -0.207 1.326 0.00 0.00 -0.491 OA ATOM 36 C LIG 1 -7.112 -0.190 1.151 0.00 0.00 +0.277 C ENDBRANCH 24 35 ENDBRANCH 22 31 ENDBRANCH 1 22 TORSDOF 6