REMARK  Name = BDB051609
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.924  -0.019  -0.697  0.00  0.00    -0.239 N 
ATOM      2  N   LIG    1        1.897   0.196   0.227  0.00  0.00    -0.166 NA
ATOM      3  C   LIG    1        3.063   0.228  -0.439  0.00  0.00    +0.105 A 
ATOM      4  C   LIG    1        2.793  -0.025  -1.832  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        3.709  -0.108  -2.875  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        5.026   0.093  -2.417  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        5.360   0.349  -1.052  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        4.394   0.424  -0.013  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        1.442  -0.177  -1.965  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -3.140  -0.175   0.541  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1       -2.796  -0.372  -0.801  0.00  0.00    +0.123 A 
ATOM     12  C   LIG    1       -1.464  -0.324  -1.228  0.00  0.00    +0.073 A 
ATOM     13  C   LIG    1       -0.444  -0.074  -0.301  0.00  0.00    +0.069 A 
ATOM     14  C   LIG    1       -0.775   0.126   1.047  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -2.109   0.077   1.461  0.00  0.00    +0.010 A 
BRANCH  11  16
ATOM     16  O   LIG    1       -3.787  -0.630  -1.707  0.00  0.00    -0.506 OA
ATOM     17  H   LIG    1       -3.429  -0.548  -2.605  0.00  0.00    +0.292 HD
ENDBRANCH  11  16
BRANCH  10  18
ATOM     18  C   LIG    1       -4.574  -0.199   1.020  0.00  0.00    +0.119 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -6.444   1.125   1.753  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1       -5.087   1.157   1.231  0.00  0.00    -0.315 NA
ATOM     21  H   LIG    1       -4.479   1.645   1.886  0.00  0.00    +0.122 HD
ENDBRANCH  18  20
ENDBRANCH  10  18
ENDBRANCH   1  13
BRANCH   8  22
ATOM     22  C   LIG    1        4.754   0.707   1.385  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1        4.068   1.392   2.129  0.00  0.00    -0.270 OA
ATOM     24  N   LIG    1        5.931   0.161   1.828  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1        6.366  -0.615   1.350  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        6.099   0.248   2.822  0.00  0.00    +0.145 HD
ENDBRANCH   8  22
TORSDOF 5