REMARK  Name = BDB043200
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.122   0.578  -0.088  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -0.541  -0.667   0.164  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.845  -0.867   0.407  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.728   0.195   0.417  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -2.235   1.454   0.136  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1       -0.935   1.638  -0.122  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.320  -2.164   0.705  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -3.307  -2.658  -0.281  0.00  0.00    +0.121 C 
ATOM      9  C   LIG    1       -3.852  -4.039   0.154  0.00  0.00    +0.100 C 
ATOM     10  N   LIG    1       -2.799  -5.044   0.383  0.00  0.00    -0.313 NA
ATOM     11  H   LIG    1       -3.217  -5.887   0.774  0.00  0.00    +0.122 HD
ATOM     12  C   LIG    1       -1.815  -4.508   1.345  0.00  0.00    +0.100 C 
ATOM     13  C   LIG    1       -1.229  -3.142   0.922  0.00  0.00    +0.121 C 
ENDBRANCH   3   7
BRANCH   1  14
ATOM     14  N   LIG    1        1.216   0.877  -0.336  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1        1.292   1.881  -0.429  0.00  0.00    +0.155 HD
BRANCH  14  19
ATOM     16  C   LIG    1        4.850  -1.283  -0.536  0.00  0.00    +0.059 A 
ATOM     17  C   LIG    1        4.826   0.109  -0.661  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        3.608   0.799  -0.591  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        2.391   0.126  -0.393  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        2.434  -1.266  -0.274  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        3.646  -1.966  -0.343  0.00  0.00    +0.017 A 
BRANCH  16  22
ATOM     22  C   LIG    1        6.109  -2.074  -0.601  0.00  0.00    +0.339 C 
ATOM     23  O   LIG    1        6.151  -3.289  -0.491  0.00  0.00    -0.245 OA
BRANCH  22  25
ATOM     24  C   LIG    1        8.425  -1.949  -0.870  0.00  0.00    +0.280 C 
ATOM     25  O   LIG    1        7.177  -1.259  -0.797  0.00  0.00    -0.464 OA
ENDBRANCH  22  25
ENDBRANCH  16  22
ENDBRANCH  14  19
ENDBRANCH   1  14
BRANCH   5  26
ATOM     26  N   LIG    1       -3.139   2.542   0.163  0.00  0.00    -0.283 N 
ATOM     27  H   LIG    1       -4.020   2.281  -0.257  0.00  0.00    +0.155 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -2.854   3.864   0.230  0.00  0.00    +0.146 A 
ATOM     29  N   LIG    1       -1.734   4.443   0.667  0.00  0.00    -0.158 NA
ATOM     30  N   LIG    1       -1.960   5.757   0.553  0.00  0.00    -0.280 N 
ATOM     31  H   LIG    1       -1.218   6.392   0.828  0.00  0.00    +0.189 HD
ATOM     32  C   LIG    1       -3.201   6.062   0.074  0.00  0.00    +0.035 A 
ATOM     33  C   LIG    1       -3.659   7.453  -0.120  0.00  0.00    +0.065 C 
ATOM     34  C   LIG    1       -3.810   4.845  -0.140  0.00  0.00    +0.068 A 
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 7