REMARK  Name = BDB051053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.781  -0.875  -0.009  0.00  0.00    +0.045 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.545  -1.509   0.456  0.00  0.00    +0.074 C 
ATOM      3  C   LIG    1        0.972  -2.611  -0.515  0.00  0.00    +0.017 C 
BRANCH   2   6
ATOM      4  N   LIG    1        2.766  -0.884   1.235  0.00  0.00    -0.315 N 
ATOM      5  H   LIG    1        2.787  -1.822   1.614  0.00  0.00    +0.149 HD
ATOM      6  C   LIG    1        1.655  -0.461   0.541  0.00  0.00    +0.216 C 
ATOM      7  O   LIG    1        1.569   0.648   0.020  0.00  0.00    -0.276 OA
BRANCH   4   8
ATOM      8  C   LIG    1        3.944  -0.055   1.380  0.00  0.00    +0.104 C 
BRANCH   8   9
ATOM      9  C   LIG    1        4.870  -0.185   0.172  0.00  0.00    +0.018 C 
BRANCH   9  11
ATOM     10  C   LIG    1        7.051   0.540  -0.859  0.00  0.00    +0.004 C 
ATOM     11  C   LIG    1        6.126   0.668   0.341  0.00  0.00    -0.002 C 
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   4   8
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  12
ATOM     12  C   LIG    1       -1.392   0.044   1.065  0.00  0.00    +0.132 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -1.821  -0.764   2.167  0.00  0.00    -0.390 OA
ATOM     14  H   LIG    1       -2.526  -1.356   1.856  0.00  0.00    +0.210 HD
ENDBRANCH  12  13
BRANCH  12  15
ATOM     15  C   LIG    1       -2.558   0.954   0.565  0.00  0.00    +0.080 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -2.078   2.009  -0.339  0.00  0.00    -0.325 NA
ATOM     17  H   LIG    1       -1.297   2.500   0.102  0.00  0.00    +0.119 HD
ATOM     18  H   LIG    1       -1.685   1.599  -1.186  0.00  0.00    +0.119 HD
ENDBRANCH  15  16
BRANCH  15  19
ATOM     19  C   LIG    1       -3.699   0.163  -0.114  0.00  0.00    +0.024 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.926   1.001  -0.540  0.00  0.00    -0.016 C 
ATOM     21  C   LIG    1       -5.613   1.679   0.647  0.00  0.00    +0.007 C 
ATOM     22  C   LIG    1       -5.931   0.105  -1.271  0.00  0.00    +0.007 C 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH  12  15
ENDBRANCH   1  12
TORSDOF 11