REMARK  Name = BDB023008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.490   1.244  -4.214  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        0.305   0.484  -3.153  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.449   0.085  -1.948  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -1.231   1.035  -1.278  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -1.306   2.200  -1.669  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.251  -0.966  -1.206  0.00  0.00    +0.143 C 
ATOM      7  C   LIG    1        1.673  -0.550  -0.896  0.00  0.00    -0.022 A 
ATOM      8  C   LIG    1        2.310   0.457  -1.639  0.00  0.00    -0.023 A 
ATOM      9  C   LIG    1        3.615   0.776  -1.297  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1        4.315   0.159  -0.320  0.00  0.00    -0.240 NA
ATOM     11  C   LIG    1        3.718  -0.833   0.373  0.00  0.00    +0.123 A 
ATOM     12  C   LIG    1        2.395  -1.200   0.111  0.00  0.00    +0.049 A 
ATOM     13  C   LIG    1        1.591   1.216  -2.731  0.00  0.00    +0.059 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -2.043   0.568  -0.056  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -3.089  -0.489  -0.488  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -4.373   0.162  -1.060  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -4.921   1.242  -0.227  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -6.142   1.782  -0.826  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -3.930   2.307  -0.038  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -2.686   1.767   0.666  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.347  -1.524   0.606  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.125  -1.247   1.738  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -4.324  -2.214   2.727  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.748  -3.475   2.599  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.975  -3.771   1.480  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.776  -2.804   0.492  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        4.390  -1.502   1.425  0.00  0.00    -0.297 N 
ATOM     28  H   LIG    1        4.128  -2.481   1.438  0.00  0.00    +0.154 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.546  -1.163   2.043  0.00  0.00    +0.070 A 
ATOM     30  C   LIG    1        6.182   0.052   2.070  0.00  0.00    +0.131 A 
ATOM     31  N   LIG    1        7.295  -0.120   2.837  0.00  0.00    -0.273 N 
ATOM     32  C   LIG    1        8.294   0.872   3.149  0.00  0.00    +0.172 C 
ATOM     33  N   LIG    1        7.421  -1.367   3.335  0.00  0.00    -0.178 NA
ATOM     34  C   LIG    1        6.347  -1.999   2.849  0.00  0.00    +0.157 A 
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 4