REMARK  Name = BDB001123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.752  -1.121  -0.468  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.340   0.029   0.136  0.00  0.00    -0.042 C 
ATOM      3  C   LIG    1        2.276   0.577   1.054  0.00  0.00    +0.051 C 
ATOM      4  C   LIG    1        0.965  -0.225   0.977  0.00  0.00    +0.089 C 
ATOM      5  N   LIG    1        0.580  -0.494  -0.420  0.00  0.00    -0.298 NA
ATOM      6  C   LIG    1        1.606  -1.325  -1.073  0.00  0.00    +0.112 C 
ATOM      7  C   LIG    1        3.015  -0.861  -0.820  0.00  0.00    -0.008 C 
BRANCH   2  11
ATOM      8  C   LIG    1        7.396   1.312   0.672  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1        6.778   1.433  -0.575  0.00  0.00    +0.019 A 
ATOM     10  C   LIG    1        5.456   1.011  -0.746  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        4.734   0.463   0.325  0.00  0.00    -0.022 A 
ATOM     12  C   LIG    1        5.362   0.347   1.571  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        6.685   0.767   1.745  0.00  0.00    +0.019 A 
BRANCH   8  15
ATOM     14  N   LIG    1        9.850   2.091   0.994  0.00  0.00    -0.191 NA
ATOM     15  C   LIG    1        8.752   1.743   0.850  0.00  0.00    +0.099 C 
ENDBRANCH   8  15
ENDBRANCH   2  11
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  C   LIG    1       -1.324  -1.177  -1.893  0.00  0.00    +0.023 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.736  -1.762  -1.928  0.00  0.00    +0.075 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.741  -0.858  -1.255  0.00  0.00    +0.110 A 
ATOM     19  N   LIG    1       -4.099   0.267  -1.943  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -3.713   0.466  -2.855  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -4.992   1.186  -1.461  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1       -5.310   2.182  -2.100  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1       -5.548   0.900  -0.127  0.00  0.00    +0.066 A 
ATOM     24  C   LIG    1       -5.124  -0.269   0.518  0.00  0.00    +0.096 A 
ATOM     25  C   LIG    1       -5.651  -0.535   1.792  0.00  0.00    +0.067 A 
ATOM     26  C   LIG    1       -6.569   0.337   2.391  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -6.975   1.494   1.726  0.00  0.00    +0.002 A 
ATOM     28 CL   LIG    1       -5.186  -1.949   2.674  0.00  0.00    -0.081 Cl
ATOM     29  C   LIG    1       -6.464   1.780   0.463  0.00  0.00    +0.015 A 
ATOM     30  N   LIG    1       -4.200  -1.150  -0.084  0.00  0.00    -0.232 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6