REMARK  Name = BDB032021
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.056   0.648  -0.156  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.208   0.193  -0.059  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.150   1.117  -0.258  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.541   0.937  -0.219  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -3.167   2.172  -0.494  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.130   3.106  -0.691  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -2.288   4.496  -1.004  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.366   2.395  -0.551  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.914   2.441  -0.545  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        0.383   2.826  -0.630  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        1.378   1.934  -0.437  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.184  -0.337   0.040  0.00  0.00    +0.094 C 
ATOM     13  C   LIG    1       -4.067  -0.279   1.296  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -4.751  -1.616   1.562  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -5.545  -2.094   0.348  0.00  0.00    +0.115 C 
ATOM     16  C   LIG    1       -4.671  -2.155  -0.902  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1       -3.988  -0.819  -1.178  0.00  0.00    +0.028 C 
BRANCH  15  18
ATOM     18  O   LIG    1       -6.059  -3.397   0.602  0.00  0.00    -0.392 OA
ATOM     19  H   LIG    1       -6.659  -3.330   1.365  0.00  0.00    +0.210 HD
ENDBRANCH  15  18
ENDBRANCH   4  12
BRANCH   1  20
ATOM     20  N   LIG    1        2.034  -0.325   0.041  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1        1.571  -1.201   0.231  0.00  0.00    +0.155 HD
BRANCH  20  24
ATOM     22  C   LIG    1        3.448  -2.856   0.240  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1        4.146  -1.522   0.212  0.00  0.00    -0.027 A 
ATOM     24  C   LIG    1        3.434  -0.307   0.127  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        4.182   0.879   0.085  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1        5.572   0.901   0.146  0.00  0.00    +0.091 A 
ATOM     27  C   LIG    1        6.273  -0.320   0.246  0.00  0.00    +0.090 A 
ATOM     28  N   LIG    1        7.620  -0.360   0.310  0.00  0.00    -0.252 NA
ATOM     29  C   LIG    1        8.257   0.829   0.274  0.00  0.00    +0.131 A 
ATOM     30  C   LIG    1        7.576   2.024   0.177  0.00  0.00    +0.131 A 
ATOM     31  N   LIG    1        6.229   2.081   0.112  0.00  0.00    -0.252 NA
ATOM     32  C   LIG    1        5.551  -1.503   0.276  0.00  0.00    +0.035 A 
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 4