REMARK  Name = BDB062348
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.267  -0.171   0.414  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.023   0.092   0.130  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.889  -0.274   1.077  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.286  -0.127   1.055  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -2.819  -0.705   2.228  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -1.716  -1.145   2.989  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -1.775  -1.826   4.249  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.995  -0.812   2.532  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.556  -0.885   2.263  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        0.760  -1.124   2.478  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        1.682  -0.768   1.558  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.019   0.363  -0.101  0.00  0.00    +0.096 C 
ATOM     13  C   LIG    1       -4.130   1.365   0.264  0.00  0.00    +0.040 C 
ATOM     14  C   LIG    1       -5.526   0.784   0.045  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1       -5.754   0.294  -1.321  0.00  0.00    -0.305 NA
ATOM     16  C   LIG    1       -6.397   1.289  -2.173  0.00  0.00    +0.104 C 
ATOM     17  C   LIG    1       -4.563  -0.271  -1.965  0.00  0.00    +0.086 C 
ATOM     18  C   LIG    1       -3.547  -0.796  -0.956  0.00  0.00    +0.040 C 
ENDBRANCH   4  12
BRANCH   1  19
ATOM     19  N   LIG    1        2.165   0.207  -0.581  0.00  0.00    -0.283 N 
ATOM     20  H   LIG    1        1.640   0.630  -1.332  0.00  0.00    +0.155 HD
BRANCH  19  23
ATOM     21  C   LIG    1        3.357   0.953  -3.124  0.00  0.00    +0.046 C 
ATOM     22  C   LIG    1        4.168   0.567  -1.915  0.00  0.00    -0.027 A 
ATOM     23  C   LIG    1        3.563   0.221  -0.689  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1        4.410  -0.145   0.369  0.00  0.00    +0.053 A 
ATOM     25  C   LIG    1        5.798  -0.155   0.260  0.00  0.00    +0.091 A 
ATOM     26  C   LIG    1        6.391   0.207  -0.968  0.00  0.00    +0.090 A 
ATOM     27  N   LIG    1        7.730   0.216  -1.132  0.00  0.00    -0.252 NA
ATOM     28  C   LIG    1        8.467  -0.140  -0.059  0.00  0.00    +0.131 A 
ATOM     29  C   LIG    1        7.891  -0.494   1.142  0.00  0.00    +0.131 A 
ATOM     30  N   LIG    1        6.553  -0.508   1.322  0.00  0.00    -0.252 NA
ATOM     31  C   LIG    1        5.570   0.559  -2.028  0.00  0.00    +0.035 A 
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 3