REMARK  Name = BDB036204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.558   0.681  -0.421  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        0.480  -0.221   0.020  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.815   0.565   0.339  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -1.334   1.425  -0.749  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.249   1.831  -1.670  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.137   1.968  -1.000  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.556  -0.330   0.189  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        4.630  -1.323   0.221  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        3.342  -0.940   0.015  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        2.890   0.367  -0.219  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        3.901   1.338  -0.238  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.241   1.000  -0.034  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1        8.428  -2.663   0.954  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        7.160  -2.092   0.593  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        6.309  -2.648   0.642  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        6.980  -0.736   0.418  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        7.886   0.088   0.452  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -2.428   0.791  -1.502  0.00  0.00    +0.122 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.718   0.704  -0.720  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -4.437  -0.493  -0.669  0.00  0.00    +0.153 A 
ATOM     21  F   LIG    1       -3.966  -1.583  -1.297  0.00  0.00    -0.203 F 
ATOM     22  C   LIG    1       -5.642  -0.579   0.029  0.00  0.00    +0.104 A 
ATOM     23  C   LIG    1       -6.163   0.541   0.692  0.00  0.00    +0.090 A 
ATOM     24  N   LIG    1       -7.375   0.496   1.408  0.00  0.00    -0.248 NA
ATOM     25  C   LIG    1       -8.011  -0.635   1.437  0.00  0.00    +0.181 A 
ATOM     26  C   LIG    1       -7.532  -1.898   0.753  0.00  0.00    +0.267 A 
ATOM     27  O   LIG    1       -8.196  -2.919   0.833  0.00  0.00    -0.266 OA
ATOM     28  C   LIG    1       -5.456   1.742   0.637  0.00  0.00    +0.030 A 
ATOM     29  N   LIG    1       -6.347  -1.790   0.074  0.00  0.00    -0.317 N 
ATOM     30  H   LIG    1       -5.987  -2.608  -0.400  0.00  0.00    +0.169 HD
ATOM     31  C   LIG    1       -4.247   1.827  -0.065  0.00  0.00    +0.010 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 4