REMARK  Name = BDB021978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.094  -2.439  -1.537  0.00  0.00    +0.024 C 
ATOM      2  C   LIG    1       -1.690  -1.128  -0.851  0.00  0.00    +0.056 C 
ATOM      3  N   LIG    1       -2.070  -1.003   0.560  0.00  0.00    -0.295 NA
ATOM      4  C   LIG    1       -1.449  -1.990   1.443  0.00  0.00    +0.087 C 
ATOM      5  C   LIG    1       -0.058  -2.469   1.022  0.00  0.00    +0.038 C 
ATOM      6  C   LIG    1        0.702  -1.535   0.074  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1       -0.186  -0.833  -0.972  0.00  0.00    +0.041 C 
ENDROOT
BRANCH   6   8
ATOM      8  N   LIG    1        1.589  -0.574   0.774  0.00  0.00    -0.285 N 
ATOM      9  C   LIG    1        2.803  -0.250   0.153  0.00  0.00    +0.308 C 
ATOM     10  N   LIG    1        3.647   0.502   0.925  0.00  0.00    -0.254 N 
ATOM     11  H   LIG    1        3.526   0.470   1.924  0.00  0.00    +0.158 HD
ATOM     12  O   LIG    1        3.074  -0.648  -0.978  0.00  0.00    -0.252 OA
ATOM     13  C   LIG    1        1.000   0.234   1.842  0.00  0.00    +0.134 C 
BRANCH  10  14
ATOM     14  C   LIG    1        4.873   1.063   0.569  0.00  0.00    +0.126 A 
ATOM     15  N   LIG    1        5.577   1.532   1.625  0.00  0.00    -0.240 NA
ATOM     16  C   LIG    1        6.774   2.105   1.371  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1        7.309   2.243   0.103  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.569   1.767  -0.970  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        5.330   1.170  -0.737  0.00  0.00    +0.044 A 
ENDBRANCH  10  14
ENDBRANCH   6   8
BRANCH   3  20
ATOM     20  C   LIG    1       -3.516  -0.907   0.808  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.155   0.333   0.220  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1       -5.219   0.228  -0.687  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -5.813   1.374  -1.218  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.351   2.636  -0.848  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.296   2.754   0.055  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.702   1.609   0.587  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 4