REMARK Name = BDB045564 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.347 1.091 0.358 0.00 0.00 +0.129 A ATOM 2 C LIG 1 2.507 0.331 0.587 0.00 0.00 +0.031 A ATOM 3 C LIG 1 2.429 -1.063 0.757 0.00 0.00 +0.038 A ATOM 4 C LIG 1 1.168 -1.667 0.698 0.00 0.00 +0.048 A ATOM 5 N LIG 1 0.817 -2.989 0.821 0.00 0.00 -0.354 N ATOM 6 H LIG 1 1.471 -3.742 0.979 0.00 0.00 +0.166 HD ATOM 7 C LIG 1 -0.542 -3.149 0.699 0.00 0.00 +0.051 A ATOM 8 C LIG 1 -1.096 -1.883 0.485 0.00 0.00 +0.034 A ATOM 9 C LIG 1 -2.492 -1.803 0.328 0.00 0.00 +0.084 A ATOM 10 N LIG 1 -3.270 -2.914 0.387 0.00 0.00 -0.254 NA ATOM 11 C LIG 1 -2.682 -4.109 0.595 0.00 0.00 +0.113 A ATOM 12 C LIG 1 -1.320 -4.304 0.760 0.00 0.00 +0.046 A ATOM 13 C LIG 1 -0.004 -0.946 0.484 0.00 0.00 +0.013 A ATOM 14 C LIG 1 0.097 0.455 0.319 0.00 0.00 +0.057 A ENDROOT BRANCH 2 15 ATOM 15 C LIG 1 3.819 0.952 0.632 0.00 0.00 +0.050 A ATOM 16 C LIG 1 4.638 0.982 1.740 0.00 0.00 +0.142 A ATOM 17 C LIG 1 4.529 0.488 3.125 0.00 0.00 +0.090 C ATOM 18 O LIG 1 5.791 1.632 1.425 0.00 0.00 -0.359 OA ATOM 19 N LIG 1 5.745 2.053 0.110 0.00 0.00 -0.083 NA ATOM 20 C LIG 1 4.555 1.652 -0.359 0.00 0.00 +0.089 A ATOM 21 C LIG 1 4.171 1.955 -1.757 0.00 0.00 +0.070 C ENDBRANCH 2 15 BRANCH 9 22 ATOM 22 C LIG 1 -3.150 -0.545 0.105 0.00 0.00 +0.045 A ATOM 23 C LIG 1 -3.651 0.273 1.102 0.00 0.00 +0.042 A ATOM 24 C LIG 1 -3.679 0.134 2.576 0.00 0.00 +0.065 C ATOM 25 N LIG 1 -4.194 1.349 0.452 0.00 0.00 -0.281 N ATOM 26 H LIG 1 -4.670 2.148 0.857 0.00 0.00 +0.189 HD ATOM 27 N LIG 1 -4.055 1.306 -0.883 0.00 0.00 -0.178 NA ATOM 28 C LIG 1 -3.451 0.133 -1.094 0.00 0.00 +0.075 A BRANCH 28 29 ATOM 29 C LIG 1 -3.134 -0.416 -2.513 0.00 0.00 +0.040 C ATOM 30 C LIG 1 -1.744 -0.257 -3.072 0.00 0.00 +0.010 C ATOM 31 C LIG 1 -2.876 0.539 -3.650 0.00 0.00 +0.010 C ENDBRANCH 28 29 ENDBRANCH 9 22 BRANCH 1 33 ATOM 32 C LIG 1 0.382 3.214 -0.174 0.00 0.00 +0.277 C ATOM 33 O LIG 1 1.518 2.445 0.199 0.00 0.00 -0.494 OA ENDBRANCH 1 33 TORSDOF 4