REMARK  Name = BDB054507
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.279  -0.869   0.131  0.00  0.00    +0.005 C 
ATOM      2  C   LIG    1        0.769  -0.057  -0.791  0.00  0.00    +0.067 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        2.190   0.182  -0.991  0.00  0.00    +0.237 C 
ATOM      4  N   LIG    1        3.206  -0.417  -0.215  0.00  0.00    -0.312 N 
ATOM      5  H   LIG    1        2.953  -1.070   0.558  0.00  0.00    +0.149 HD
ATOM      6  O   LIG    1        2.497   0.982  -1.927  0.00  0.00    -0.271 OA
BRANCH   4   7
ATOM      7  C   LIG    1        4.602  -0.173  -0.433  0.00  0.00    +0.107 C 
BRANCH   7   8
ATOM      8  C   LIG    1        5.040   1.244  -0.301  0.00  0.00    -0.000 C 
ATOM      9  C   LIG    1        4.766   1.840   1.044  0.00  0.00    +0.009 C 
ATOM     10  C   LIG    1        6.550   1.271  -0.568  0.00  0.00    +0.009 C 
ENDBRANCH   7   8
ENDBRANCH   4   7
ENDBRANCH   2   3
BRANCH   1  12
ATOM     11  C   LIG    1       -1.668  -1.888   1.201  0.00  0.00    -0.027 C 
ATOM     12  C   LIG    1       -1.175  -1.086   0.300  0.00  0.00    -0.004 C 
BRANCH  11  13
ATOM     13  C   LIG    1       -3.021  -2.251   1.536  0.00  0.00    +0.031 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.207  -1.725   0.812  0.00  0.00    +0.031 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -4.440  -1.067  -1.550  0.00  0.00    -0.005 C 
ATOM     16  C   LIG    1       -4.278  -2.006  -0.618  0.00  0.00    -0.027 C 
BRANCH  15  19
ATOM     17  C   LIG    1       -4.713   2.099   0.228  0.00  0.00    +0.035 C 
ATOM     18  C   LIG    1       -4.702   1.532  -1.154  0.00  0.00    -0.030 C 
ATOM     19  C   LIG    1       -4.573   0.252  -1.349  0.00  0.00    -0.005 C 
ENDBRANCH  15  19
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   1  12
TORSDOF 8