REMARK  Name = BDB002513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.133   0.188  -1.064  0.00  0.00    -0.285 N 
ATOM      2  H   LIG    1       -1.296   0.974  -1.687  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.274  -0.161  -0.396  0.00  0.00    +0.200 A 
ATOM      4  N   LIG    1       -2.265  -1.284   0.386  0.00  0.00    -0.295 N 
ATOM      5  H   LIG    1       -1.435  -1.851   0.433  0.00  0.00    +0.172 HD
ATOM      6  C   LIG    1       -3.363  -1.735   1.051  0.00  0.00    +0.253 A 
ATOM      7  O   LIG    1       -3.366  -2.755   1.729  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -4.565  -0.908   0.900  0.00  0.00    +0.093 A 
ATOM      9  C   LIG    1       -4.489   0.172   0.112  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -5.680   1.063  -0.098  0.00  0.00    +0.066 C 
ATOM     11  N   LIG    1       -3.349   0.552  -0.558  0.00  0.00    -0.221 NA
ENDBRANCH   1   3
BRANCH   1  15
ATOM     12  C   LIG    1        2.883   0.156   0.288  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        2.575   0.273  -1.071  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        1.240   0.289  -1.490  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        0.187   0.187  -0.569  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1        0.506   0.071   0.789  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        1.840   0.057   1.215  0.00  0.00    +0.017 A 
BRANCH  12  18
ATOM     18  C   LIG    1        4.282   0.135   0.795  0.00  0.00    +0.339 C 
ATOM     19  O   LIG    1        4.568   0.034   1.978  0.00  0.00    -0.245 OA
BRANCH  18  21
ATOM     20  C   LIG    1        6.533   0.227   0.182  0.00  0.00    +0.280 C 
ATOM     21  O   LIG    1        5.165   0.241  -0.229  0.00  0.00    -0.464 OA
ENDBRANCH  18  21
ENDBRANCH  12  18
ENDBRANCH   1  15
TORSDOF 4