REMARK  Name = BDB031295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.834   0.352  -0.289  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        2.761  -0.526  -0.139  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1        2.791  -2.004   0.129  0.00  0.00    +0.057 C 
ATOM      4  C   LIG    1        1.328  -2.392  -0.086  0.00  0.00    +0.120 C 
ATOM      5  N   LIG    1        0.552  -1.150  -0.016  0.00  0.00    -0.255 N 
ATOM      6  C   LIG    1       -0.830  -1.197   0.046  0.00  0.00    +0.311 C 
ATOM      7  N   LIG    1       -1.425  -0.028   0.461  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1       -0.817   0.570   1.001  0.00  0.00    +0.156 HD
ATOM      9  O   LIG    1       -1.438  -2.240  -0.187  0.00  0.00    -0.252 OA
ATOM     10  C   LIG    1        1.436  -0.071  -0.207  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        1.155   1.256  -0.495  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.219   2.145  -0.659  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1        3.545   1.702  -0.547  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1       -2.803   0.268   0.501  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -3.771  -0.508  -0.149  0.00  0.00    +0.051 A 
ATOM     16  C   LIG    1       -5.079  -0.093  -0.044  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1       -5.448   1.046   0.666  0.00  0.00    +0.067 A 
ATOM     18  N   LIG    1       -6.828   1.182   0.575  0.00  0.00    -0.306 N 
ATOM     19  H   LIG    1       -7.402   1.902   0.980  0.00  0.00    +0.170 HD
ATOM     20  C   LIG    1       -7.335   0.124  -0.195  0.00  0.00    +0.325 A 
ATOM     21  O   LIG    1       -8.503  -0.073  -0.477  0.00  0.00    -0.247 OA
ATOM     22  C   LIG    1       -4.526   1.835   1.307  0.00  0.00    +0.029 A 
ATOM     23  N   LIG    1       -6.235  -0.659  -0.573  0.00  0.00    -0.306 N 
ATOM     24  H   LIG    1       -6.301  -1.495  -1.131  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -3.186   1.434   1.215  0.00  0.00    +0.025 A 
ENDBRANCH   7  14
BRANCH   1  26
ATOM     26  C   LIG    1        5.237  -0.136  -0.165  0.00  0.00    +0.339 C 
ATOM     27  O   LIG    1        5.546  -1.240   0.251  0.00  0.00    -0.245 OA
BRANCH  26  29
ATOM     28  C   LIG    1        7.479   0.426  -0.513  0.00  0.00    +0.280 C 
ATOM     29  O   LIG    1        6.107   0.817  -0.588  0.00  0.00    -0.464 OA
ENDBRANCH  26  29
ENDBRANCH   1  26
TORSDOF 3