REMARK  Name = BDB022940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.219  -1.018   0.796  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -0.862  -1.010   1.124  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -0.514  -1.148   2.549  0.00  0.00    +0.078 C 
ATOM      4  C   LIG    1       -0.571   0.206   3.268  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        0.844  -1.847   2.725  0.00  0.00    +0.060 C 
ATOM      6  C   LIG    1        1.901  -1.266   1.845  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1        1.590  -0.613   0.670  0.00  0.00    +0.067 A 
ATOM      8  N   LIG    1        2.539  -0.109  -0.152  0.00  0.00    -0.218 NA
ATOM      9  C   LIG    1        3.820  -0.262   0.207  0.00  0.00    +0.216 A 
ATOM     10  N   LIG    1        4.210  -0.903   1.314  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.245  -1.394   2.111  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        0.154  -0.410   0.249  0.00  0.00    +0.163 C 
ATOM     13  O   LIG    1       -3.077  -1.325   1.628  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -4.027  -0.096  -0.728  0.00  0.00    +0.045 C 
ATOM     15  C   LIG    1       -2.618  -0.733  -0.656  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -2.575  -2.064  -1.421  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1       -3.138  -1.931  -2.834  0.00  0.00    +0.085 C 
ATOM     18  N   LIG    1       -4.486  -1.360  -2.886  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -5.510  -2.292  -2.418  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -4.544  -0.068  -2.187  0.00  0.00    +0.093 C 
BRANCH  14  26
ATOM     21  C   LIG    1       -5.299   2.984   3.046  0.00  0.00    +0.065 C 
ATOM     22  C   LIG    1       -4.638   2.761   1.719  0.00  0.00    +0.038 A 
ATOM     23  N   LIG    1       -4.025   3.821   1.143  0.00  0.00    -0.260 NA
ATOM     24  C   LIG    1       -3.419   3.612  -0.044  0.00  0.00    +0.111 A 
ATOM     25  C   LIG    1       -3.391   2.389  -0.694  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -4.032   1.296  -0.104  0.00  0.00    -0.039 A 
ATOM     27  C   LIG    1       -4.663   1.499   1.131  0.00  0.00    +0.027 A 
ENDBRANCH  14  26
ENDBRANCH   1  15
BRANCH   9  28
ATOM     28  N   LIG    1        4.747   0.289  -0.667  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        4.234   0.412  -1.534  0.00  0.00    +0.149 HD
BRANCH  28  30
ATOM     30  C   LIG    1        6.032  -0.404  -0.773  0.00  0.00    +0.077 C 
ATOM     31  C   LIG    1        6.602  -0.210  -2.186  0.00  0.00    +0.050 C 
ATOM     32  C   LIG    1        7.131   1.203  -2.392  0.00  0.00    +0.161 C 
ATOM     33  O   LIG    1        8.097   1.527  -1.395  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1        7.523   1.517  -0.087  0.00  0.00    +0.161 C 
ATOM     35  C   LIG    1        7.028   0.122   0.267  0.00  0.00    +0.050 C 
ENDBRANCH  28  30
ENDBRANCH   9  28
TORSDOF 4