REMARK  Name = BDB014038
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.704  -1.081   0.795  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.237  -1.487   0.821  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1       -0.456  -1.143   1.791  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.290  -2.231  -0.234  0.00  0.00    -0.262 N 
ATOM      5  C   LIG    1        0.406  -2.662  -1.428  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        1.793  -2.910  -1.542  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1        2.321  -3.325  -2.798  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        1.526  -3.503  -3.923  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1        0.172  -3.271  -3.822  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        2.864  -2.852  -0.475  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -0.369  -2.862  -2.600  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.505  -2.363   0.906  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.053   0.607   2.017  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        1.949  -0.206   1.941  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        1.211  -0.164   2.639  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.943   0.566   1.166  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        3.136   1.507   3.280  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        1.833   2.247   3.581  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        4.117   3.544   2.286  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        4.309   2.414   3.190  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.082   1.853   2.818  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.719  -2.571  -0.086  0.00  0.00    +0.190 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.605  -1.476  -0.562  0.00  0.00    +0.155 A 
ATOM     24  O   LIG    1       -3.575  -1.831  -1.444  0.00  0.00    -0.357 OA
ATOM     25  N   LIG    1       -4.302  -0.718  -1.808  0.00  0.00    -0.078 NA
ATOM     26  C   LIG    1       -3.791   0.317  -1.119  0.00  0.00    +0.114 A 
ATOM     27  C   LIG    1       -2.712  -0.130  -0.310  0.00  0.00    +0.077 A 
BRANCH  26  28
ATOM     28  C   LIG    1       -4.327   1.673  -1.248  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -5.090   2.036  -2.369  0.00  0.00    +0.010 A 
ATOM     30  C   LIG    1       -5.591   3.333  -2.503  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -5.343   4.283  -1.515  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.593   3.937  -0.393  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -4.087   2.640  -0.259  0.00  0.00    +0.010 A 
ENDBRANCH  26  28
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6