REMARK  Name = BDB022899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.141  -2.629   1.653  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.548  -1.661   0.533  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -0.884  -0.329   1.067  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -2.162   0.179   1.269  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -2.342   1.172   1.980  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1        0.231   0.441   1.637  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        1.553   0.256   0.922  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        1.692  -0.685  -0.083  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        2.938  -0.751  -0.662  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        3.978   0.010  -0.278  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        3.764   0.873   0.721  0.00  0.00    +0.215 A 
ATOM     12  N   LIG    1        2.585   1.028   1.334  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1        0.546  -1.531  -0.542  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -3.350  -0.526   0.613  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -4.472   0.489   0.252  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -5.880  -0.163   0.298  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -5.827  -1.590  -0.050  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -7.165  -2.146  -0.236  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -5.066  -2.365   0.937  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.903  -1.589   1.565  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.149   1.164  -1.080  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.416   0.547  -2.311  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -4.083   1.178  -3.511  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.473   2.430  -3.497  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -3.191   3.050  -2.283  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.524   2.421  -1.082  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        4.790   1.674   1.196  0.00  0.00    -0.313 N 
ATOM     28  H   LIG    1        4.333   2.398   1.742  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        5.748   2.149   0.214  0.00  0.00    +0.110 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.095   1.460   0.404  0.00  0.00    +0.034 C 
ATOM     31  C   LIG    1        7.152   0.027  -0.098  0.00  0.00    +0.165 C 
ATOM     32  O   LIG    1        8.540  -0.253  -0.367  0.00  0.00    -0.379 OA
ATOM     33  C   LIG    1        9.254   0.989  -0.395  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1        8.216   2.091  -0.397  0.00  0.00    +0.035 C 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 5