REMARK  Name = BDB023889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.022   2.780   0.192  0.00  0.00    +0.213 C 
ATOM      2  O   LIG    1        0.257   3.896  -0.243  0.00  0.00    -0.285 OA
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -4.175  -2.339  -2.406  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -2.993  -1.442  -2.145  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -3.044  -0.627  -1.020  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -1.834   0.174  -0.753  0.00  0.00    +0.147 C 
ATOM      7  C   LIG    1       -2.139   1.269   0.208  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1       -1.372   2.396   0.617  0.00  0.00    +0.138 A 
ATOM      9  N   LIG    1       -2.064   3.145   1.499  0.00  0.00    -0.168 NA
ATOM     10  N   LIG    1       -3.255   2.530   1.619  0.00  0.00    -0.270 N 
ATOM     11  C   LIG    1       -4.263   3.122   2.465  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.331   1.387   0.889  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -4.474   0.454   0.756  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -3.972  -0.856   0.111  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -2.034  -1.441  -2.917  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.051   1.752   0.270  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        2.066   1.766  -0.692  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        3.090   0.814  -0.648  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        3.122  -0.156   0.364  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        2.109  -0.152   1.334  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1        1.082   0.799   1.294  0.00  0.00    +0.012 A 
BRANCH  19  22
ATOM     22  C   LIG    1        4.178  -1.153   0.420  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        5.464  -0.982  -0.051  0.00  0.00    +0.116 A 
ATOM     24  N   LIG    1        6.129  -2.145   0.211  0.00  0.00    -0.274 N 
ATOM     25  C   LIG    1        7.506  -2.447  -0.096  0.00  0.00    +0.172 C 
ATOM     26  N   LIG    1        5.370  -3.069   0.827  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1        4.186  -2.464   0.952  0.00  0.00    +0.142 A 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 3