REMARK  Name = BDB054425
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.825  -0.029  -0.768  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.516  -0.028  -0.446  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -0.298  -0.097  -1.513  0.00  0.00    +0.184 A 
ATOM      4  C   LIG    1        0.090  -0.167  -2.838  0.00  0.00    +0.150 A 
ATOM      5  N   LIG    1       -1.005  -0.225  -3.645  0.00  0.00    -0.126 NA
ATOM      6  N   LIG    1       -2.081  -0.193  -2.868  0.00  0.00    -0.063 NA
ATOM      7  C   LIG    1        1.452  -0.166  -3.078  0.00  0.00    +0.147 A 
ATOM      8  N   LIG    1       -1.669  -0.115  -1.574  0.00  0.00    -0.220 N 
ATOM      9  N   LIG    1        2.309  -0.097  -2.027  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -2.675  -0.064  -0.508  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1       -3.563  -1.340  -0.561  0.00  0.00    +0.034 C 
ATOM     12  C   LIG    1       -4.671  -1.289   0.505  0.00  0.00    -0.008 C 
ATOM     13  C   LIG    1       -4.032  -1.196   1.898  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1       -3.175   0.074   1.996  0.00  0.00    -0.008 C 
ATOM     15  C   LIG    1       -4.058   1.308   1.754  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1       -4.697   1.228   0.360  0.00  0.00    -0.008 C 
ATOM     17  C   LIG    1       -5.548  -0.049   0.264  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -2.071   0.024   0.924  0.00  0.00    +0.034 C 
ATOM     19  C   LIG    1       -3.588   1.180  -0.706  0.00  0.00    +0.034 C 
ENDBRANCH   8  10
BRANCH   1  20
ATOM     20  N   LIG    1        2.680   0.035   0.330  0.00  0.00    -0.284 N 
ATOM     21  H   LIG    1        2.124   0.075   1.173  0.00  0.00    +0.155 HD
BRANCH  20  25
ATOM     22  C   LIG    1        6.855   0.217   0.938  0.00  0.00    +0.059 A 
ATOM     23  C   LIG    1        5.975   0.153   2.017  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1        4.596   0.096   1.788  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        4.067   0.117   0.485  0.00  0.00    +0.034 A 
ATOM     26  C   LIG    1        4.970   0.197  -0.582  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        6.353   0.256  -0.365  0.00  0.00    +0.017 A 
BRANCH  22  29
ATOM     28  O   LIG    1        8.789   0.906   2.135  0.00  0.00    -0.245 OA
ATOM     29  C   LIG    1        8.309   0.274   1.210  0.00  0.00    +0.337 C 
BRANCH  29  30
ATOM     30  O   LIG    1        9.035  -0.483   0.362  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        8.507  -1.065  -0.216  0.00  0.00    +0.295 HD
ENDBRANCH  29  30
ENDBRANCH  22  29
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 5