REMARK  Name = BDB023003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.782   0.508  -1.158  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1        0.182   1.278  -0.511  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -0.116   2.337   0.424  0.00  0.00    +0.085 C 
ATOM      4  C   LIG    1        0.938   2.760   1.429  0.00  0.00    +0.045 C 
ATOM      5  C   LIG    1        2.248   2.038   1.348  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1        2.573   1.234   0.265  0.00  0.00    +0.067 A 
ATOM      7  N   LIG    1        3.756   0.584   0.152  0.00  0.00    -0.217 NA
ATOM      8  C   LIG    1        4.641   0.709   1.152  0.00  0.00    +0.220 A 
ATOM      9  N   LIG    1        4.414   1.456   2.243  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1        3.229   2.097   2.314  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -0.300   2.040   1.889  0.00  0.00    +0.033 C 
ATOM     12  C   LIG    1        1.593   1.095  -0.884  0.00  0.00    +0.163 C 
ATOM     13  O   LIG    1       -0.482  -0.304  -2.036  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -3.060  -0.549  -0.820  0.00  0.00    +0.045 C 
ATOM     15  C   LIG    1       -2.247   0.768  -0.790  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -2.822   1.830  -1.745  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1       -3.553   1.191  -2.925  0.00  0.00    +0.085 C 
ATOM     18  N   LIG    1       -4.671   0.330  -2.526  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -5.965   0.988  -2.681  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -4.530  -0.250  -1.179  0.00  0.00    +0.093 C 
BRANCH  14  24
ATOM     21  C   LIG    1       -4.147  -1.243   4.100  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -3.369  -1.616   2.873  0.00  0.00    -0.050 A 
ATOM     23  C   LIG    1       -3.582  -0.937   1.665  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -2.889  -1.298   0.498  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -1.966  -2.353   0.567  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -1.758  -3.042   1.761  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -2.462  -2.680   2.908  0.00  0.00    +0.003 A 
ENDBRANCH  14  24
ENDBRANCH   1  15
BRANCH   8  28
ATOM     28  N   LIG    1        5.880   0.068   1.122  0.00  0.00    -0.281 N 
ATOM     29  H   LIG    1        6.367   0.323   1.972  0.00  0.00    +0.155 HD
BRANCH  28  30
ATOM     30  C   LIG    1        6.440  -0.763   0.222  0.00  0.00    +0.071 A 
ATOM     31  C   LIG    1        5.923  -1.241  -0.956  0.00  0.00    +0.131 A 
ATOM     32  N   LIG    1        6.883  -2.049  -1.490  0.00  0.00    -0.273 N 
ATOM     33  C   LIG    1        6.805  -2.785  -2.728  0.00  0.00    +0.172 C 
ATOM     34  N   LIG    1        7.999  -2.131  -0.739  0.00  0.00    -0.178 NA
ATOM     35  C   LIG    1        7.722  -1.346   0.307  0.00  0.00    +0.157 A 
ENDBRANCH  28  30
ENDBRANCH   8  28
TORSDOF 4