REMARK  Name = BDB012874
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.235  -0.485  -0.972  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.035  -1.098  -0.635  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.800  -1.667  -1.689  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.992  -2.281  -0.947  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.350  -2.743   0.361  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.321  -1.657   0.663  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.598  -0.415  -2.144  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -3.668   0.766   1.440  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -2.527   1.106   2.053  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -1.571   0.716   1.196  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -0.610   0.944   1.421  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.036   0.054   0.097  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -3.412   0.121   0.206  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -5.789  -0.189   2.377  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -4.993   1.082   2.073  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -5.817   2.038   1.208  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        3.051  -1.310  -0.706  0.00  0.00    -0.311 N 
ATOM     18  H   LIG    1        2.946  -0.636   0.041  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        3.948  -1.001  -1.700  0.00  0.00    +0.217 C 
ATOM     20  O   LIG    1        4.052  -1.601  -2.759  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.825   0.153  -1.385  0.00  0.00    +0.078 C 
ATOM     22  C   LIG    1        4.234   1.508  -1.050  0.00  0.00    -0.002 C 
ATOM     23  C   LIG    1        4.858   2.357   0.004  0.00  0.00    +0.008 C 
ATOM     24  C   LIG    1        4.929   1.302  -2.365  0.00  0.00    +0.017 C 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4