REMARK  Name = BDB062347
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.297  -0.058  -0.400  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.044   0.031   0.087  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.921  -0.279  -0.781  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.311  -0.275  -0.552  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -2.958  -0.676  -1.740  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -1.941  -0.913  -2.688  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -2.131  -1.346  -4.042  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.153  -0.803  -1.937  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.714  -0.667  -2.082  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        0.572  -0.736  -2.505  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        1.589  -0.432  -1.670  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.893   0.077   0.741  0.00  0.00    +0.096 C 
ATOM     13  C   LIG    1       -3.778   1.331   0.687  0.00  0.00    +0.040 C 
ATOM     14  C   LIG    1       -5.264   1.050   0.469  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1       -5.809   0.002   1.335  0.00  0.00    -0.305 NA
ATOM     16  C   LIG    1       -5.929   0.416   2.729  0.00  0.00    +0.104 C 
ATOM     17  C   LIG    1       -5.059  -1.245   1.168  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1       -3.562  -1.113   1.443  0.00  0.00    +0.040 C 
ENDBRANCH   4  12
BRANCH   1  19
ATOM     19  N   LIG    1        2.294   0.261   0.519  0.00  0.00    -0.283 N 
ATOM     20  H   LIG    1        1.847   0.510   1.389  0.00  0.00    +0.155 HD
BRANCH  19  23
ATOM     21  C   LIG    1        3.745   0.868   2.967  0.00  0.00    +0.046 C 
ATOM     22  C   LIG    1        4.422   0.648   1.639  0.00  0.00    -0.027 A 
ATOM     23  C   LIG    1        3.691   0.363   0.465  0.00  0.00    +0.037 A 
ATOM     24  C   LIG    1        4.419   0.162  -0.716  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        5.825   0.252  -0.753  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        6.541   0.544   0.413  0.00  0.00    +0.094 A 
ATOM     27  N   LIG    1        7.883   0.635   0.396  0.00  0.00    -0.149 NA
ATOM     28  N   LIG    1        8.585   0.442  -0.764  0.00  0.00    -0.157 NA
ATOM     29  C   LIG    1        7.919   0.160  -1.897  0.00  0.00    +0.135 A 
ATOM     30  C   LIG    1        6.545   0.056  -1.936  0.00  0.00    +0.031 A 
ATOM     31  C   LIG    1        5.828   0.737   1.588  0.00  0.00    +0.035 A 
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 3