REMARK  Name = BDB063839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.079  -0.560   2.321  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1        0.821  -0.687   1.880  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1       -0.315  -0.930   2.811  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1       -0.302  -1.074   4.016  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -1.378  -0.956   1.969  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1       -2.317  -1.135   2.272  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -0.941  -0.770   0.704  0.00  0.00    +0.188 C 
ATOM      8  N   LIG    1        0.343  -0.608   0.589  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1        7.463   0.271  -1.623  0.00  0.00    +0.150 C 
ATOM     10  N   LIG    1        6.850   0.569  -0.354  0.00  0.00    -0.333 N 
ATOM     11  C   LIG    1        5.611   0.152   0.062  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        5.485   0.695   1.338  0.00  0.00    +0.090 A 
ATOM     13  C   LIG    1        4.313   0.463   2.074  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        3.279  -0.303   1.507  0.00  0.00    -0.021 A 
ATOM     15  C   LIG    1        3.450  -0.846   0.225  0.00  0.00    +0.010 A 
ATOM     16  N   LIG    1        6.607   1.410   1.682  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1        4.612  -0.627  -0.528  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        7.407   1.316   0.644  0.00  0.00    +0.200 A 
ENDBRANCH   1  14
BRANCH   7  19
ATOM     19  N   LIG    1       -1.782  -0.758  -0.362  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1       -1.294  -0.487  -1.212  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.193  -0.386  -0.332  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1       -3.306   1.135  -0.161  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -4.688   1.745  -0.380  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -5.853   0.938   0.189  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -6.112  -0.434  -0.447  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -5.366  -0.708  -1.750  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -3.855  -0.928  -1.607  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 3