REMARK  Name = BDB012866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.352   0.399   0.992  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -1.296   0.729   0.155  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.067   0.734   0.674  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        0.948   1.049  -0.545  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.146   0.419  -1.684  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -1.296   0.722  -1.300  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -2.153   0.064   2.158  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -5.826   0.155  -0.088  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -5.430   1.222  -0.794  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -4.159   1.410  -0.408  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -3.669   2.225  -0.759  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -3.681   0.453   0.441  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -4.772  -0.349   0.711  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -7.277  -1.779  -0.754  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -7.236  -0.351  -0.207  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -7.979  -0.266   1.128  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        2.299   0.523  -0.470  0.00  0.00    -0.306 N 
ATOM     18  H   LIG    1        2.719   0.205  -1.332  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        3.175   1.026   0.475  0.00  0.00    +0.261 C 
ATOM     20  O   LIG    1        2.826   1.850   1.313  0.00  0.00    -0.269 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.528   0.530   0.359  0.00  0.00    +0.103 A 
ATOM     22  N   LIG    1        4.903  -0.662  -0.221  0.00  0.00    -0.351 N 
ATOM     23  H   LIG    1        4.263  -1.343  -0.602  0.00  0.00    +0.166 HD
ATOM     24  C   LIG    1        6.267  -0.831  -0.167  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        6.787   0.274   0.503  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        8.178   0.350   0.710  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1        8.997  -0.681   0.236  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        8.448  -1.776  -0.430  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        7.070  -1.874  -0.643  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1        5.689   1.108   0.843  0.00  0.00    +0.040 A 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4