REMARK  Name = BDB022469
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.500   0.019  -0.970  0.00  0.00    +0.248 C 
ATOM      2  N   LIG    1       -0.929   0.697   0.092  0.00  0.00    -0.281 N 
ATOM      3  H   LIG    1       -1.557   1.194   0.711  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.915  -0.496  -1.914  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -5.806  -0.121  -1.017  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -5.069  -0.053  -2.206  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -3.671  -0.011  -2.178  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -2.991  -0.028  -0.957  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -3.720  -0.119   0.233  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -5.121  -0.160   0.200  0.00  0.00    +0.024 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -8.134  -0.197  -0.106  0.00  0.00    +0.241 C 
ATOM     12  N   LIG    1       -7.212  -0.158  -1.133  0.00  0.00    -0.282 N 
ATOM     13  H   LIG    1       -7.571  -0.148  -2.078  0.00  0.00    +0.155 HD
ATOM     14  O   LIG    1       -7.905  -0.192   1.096  0.00  0.00    -0.271 OA
BRANCH  11  16
ATOM     15  C   LIG    1      -10.573  -0.268   0.224  0.00  0.00    +0.013 C 
ATOM     16  C   LIG    1       -9.535  -0.242  -0.622  0.00  0.00    +0.060 C 
ENDBRANCH  11  16
ENDBRANCH   5  12
ENDBRANCH   1   8
BRANCH   2  17
ATOM     17  C   LIG    1        0.446   0.865   0.361  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        1.468   0.251  -0.371  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        2.825   0.456  -0.058  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        3.136   1.280   1.027  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        2.127   1.895   1.771  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        0.789   1.686   1.440  0.00  0.00    +0.023 A 
BRANCH  19  23
ATOM     23  N   LIG    1        3.797  -0.232  -0.813  0.00  0.00    -0.298 N 
ATOM     24  H   LIG    1        3.502  -0.376  -1.774  0.00  0.00    +0.154 HD
BRANCH  23  25
ATOM     25  C   LIG    1        5.093  -0.532  -0.590  0.00  0.00    +0.145 A 
ATOM     26  N   LIG    1        5.938  -0.823  -1.581  0.00  0.00    -0.158 NA
ATOM     27  N   LIG    1        7.099  -1.088  -0.966  0.00  0.00    -0.280 N 
ATOM     28  H   LIG    1        7.901  -1.324  -1.541  0.00  0.00    +0.189 HD
ATOM     29  C   LIG    1        7.029  -1.017   0.396  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1        5.723  -0.669   0.669  0.00  0.00    +0.068 A 
BRANCH  29  31
ATOM     31  C   LIG    1        8.189  -1.299   1.280  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        9.007  -0.046   1.550  0.00  0.00    +0.010 C 
ENDBRANCH  29  31
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH   2  17
TORSDOF 7