REMARK  Name = BDB061299
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.538   0.347   1.583  0.00  0.00    -0.311 N 
ATOM      2  H   LIG    1        0.869   0.798   2.426  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        1.378   0.317   0.487  0.00  0.00    +0.246 C 
ATOM      4  O   LIG    1        1.196  -0.386  -0.502  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        2.579   1.199   0.566  0.00  0.00    +0.059 A 
ATOM      6  C   LIG    1        3.846   0.740   0.093  0.00  0.00    +0.061 A 
ATOM      7  N   LIG    1        3.933  -0.586  -0.372  0.00  0.00    -0.341 N 
ATOM      8  H   LIG    1        3.015  -0.897  -0.721  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1        4.999  -0.957  -1.282  0.00  0.00    +0.114 C 
ATOM     10  C   LIG    1        6.288  -1.096  -0.501  0.00  0.00    +0.089 C 
ATOM     11  C   LIG    1        6.972   0.244  -0.455  0.00  0.00    +0.222 C 
ATOM     12  N   LIG    1        6.295   1.361  -0.080  0.00  0.00    -0.284 N 
ATOM     13  H   LIG    1        6.934   2.145  -0.014  0.00  0.00    +0.155 HD
ATOM     14  O   LIG    1        8.177   0.371  -0.694  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        7.196  -2.148  -1.141  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1        4.945   1.620   0.237  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        4.731   2.924   0.736  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        3.473   3.365   1.139  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        2.396   2.500   1.061  0.00  0.00    +0.015 A 
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  C   LIG    1       -0.609  -0.535   1.700  0.00  0.00    +0.106 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.914   0.237   1.865  0.00  0.00    +0.037 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.336   1.045   0.632  0.00  0.00    +0.106 C 
BRANCH  22  26
ATOM     23  C   LIG    1       -6.356  -0.653   0.692  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1       -5.078  -0.079   0.647  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1       -4.174  -0.336  -0.403  0.00  0.00    +0.036 A 
ATOM     26  N   LIG    1       -2.897   0.224  -0.447  0.00  0.00    -0.330 N 
ATOM     27  C   LIG    1       -1.964  -0.228  -1.488  0.00  0.00    +0.105 C 
ATOM     28  C   LIG    1       -2.682  -0.417  -2.812  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -3.755  -1.477  -2.637  0.00  0.00    +0.038 C 
ATOM     30  C   LIG    1       -4.631  -1.170  -1.448  0.00  0.00    -0.026 A 
ATOM     31  C   LIG    1       -5.905  -1.759  -1.398  0.00  0.00    +0.009 A 
ATOM     32  C   LIG    1       -6.759  -1.500  -0.333  0.00  0.00    +0.046 A 
BRANCH  23  34
ATOM     33  C   LIG    1       -6.946   0.415   2.736  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1       -7.290  -0.467   1.676  0.00  0.00    -0.495 OA
ENDBRANCH  23  34
ENDBRANCH  22  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6