REMARK  Name = BDB047096
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.422  -0.129  -1.151  0.00  0.00    -0.303 NA
ATOM      2  H   LIG    1       -0.280  -0.068  -1.889  0.00  0.00    +0.123 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.184  -0.831   0.000  0.00  0.00    +0.178 C 
BRANCH   3   5
ATOM      4  N   LIG    1       -2.487  -1.512  -0.757  0.00  0.00    -0.299 N 
ATOM      5  C   LIG    1       -1.179  -1.904  -0.476  0.00  0.00    +0.229 C 
ATOM      6  O   LIG    1       -0.800  -3.066  -0.644  0.00  0.00    -0.274 OA
BRANCH   4   8
ATOM      7  C   LIG    1       -3.401  -2.642  -2.752  0.00  0.00    +0.024 C 
ATOM      8  C   LIG    1       -3.423  -2.530  -1.236  0.00  0.00    +0.104 C 
ENDBRANCH   4   8
BRANCH   4   9
ATOM      9  C   LIG    1       -3.017  -0.151  -0.590  0.00  0.00    +0.123 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -3.615   0.069   0.816  0.00  0.00    +0.102 C 
BRANCH  10  11
ATOM     11  N   LIG    1       -4.220   1.402   1.000  0.00  0.00    -0.307 NA
ATOM     12  C   LIG    1       -3.208   2.461   1.037  0.00  0.00    +0.104 C 
ATOM     13  C   LIG    1       -5.000   1.429   2.242  0.00  0.00    +0.104 C 
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   4   9
ENDBRANCH   3   5
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  C   LIG    1        1.573  -0.875  -1.691  0.00  0.00    +0.137 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.825  -0.763  -0.840  0.00  0.00    +0.056 A 
ATOM     16  N   LIG    1        3.357  -1.910  -0.350  0.00  0.00    -0.259 NA
ATOM     17  C   LIG    1        4.467  -1.817   0.411  0.00  0.00    +0.112 A 
ATOM     18  C   LIG    1        5.091  -0.623   0.717  0.00  0.00    +0.034 A 
ATOM     19  C   LIG    1        4.538   0.552   0.209  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1        3.389   0.483  -0.582  0.00  0.00    +0.039 A 
BRANCH  19  21
ATOM     21  C   LIG    1        5.125   1.890   0.476  0.00  0.00    +0.339 C 
ATOM     22  O   LIG    1        4.668   2.930   0.029  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        6.219   1.782   1.271  0.00  0.00    -0.464 OA
ATOM     24  C   LIG    1        6.842   3.031   1.573  0.00  0.00    +0.280 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 10