REMARK  Name = BDB050342
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.328  -0.298   0.488  0.00  0.00    +0.048 A 
ATOM      2  N   LIG    1       -3.388   0.656   0.824  0.00  0.00    -0.354 N 
ATOM      3  H   LIG    1       -3.596   1.632   1.007  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1       -2.120   0.126   0.884  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -2.229  -1.222   0.579  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.063  -2.011   0.569  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        0.177  -1.429   0.871  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        0.251  -0.068   1.166  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -0.898   0.736   1.180  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -3.606  -1.477   0.334  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1  19
ATOM     11  O   LIG    1       -4.751   2.848   1.151  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -5.902   2.530   0.919  0.00  0.00    +0.245 C 
ATOM     13  C   LIG    1       -6.413   1.194   0.538  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -7.805   1.352   0.378  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1       -8.617   0.292   0.017  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -8.016  -0.944  -0.184  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -6.625  -1.101  -0.024  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -8.220   2.759   0.645  0.00  0.00    +0.140 C 
ATOM     19  C   LIG    1       -5.775  -0.034   0.344  0.00  0.00    +0.011 A 
ATOM     20  N   LIG    1       -6.974   3.391   0.968  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1       -6.853   4.366   1.208  0.00  0.00    +0.149 HD
ENDBRANCH   1  19
BRANCH   7  22
ATOM     22  O   LIG    1        1.230  -2.303   0.824  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1        2.497  -1.876   1.324  0.00  0.00    +0.230 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.343  -1.269   0.207  0.00  0.00    +0.056 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.734  -0.886   0.723  0.00  0.00    +0.087 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.547  -0.190  -0.284  0.00  0.00    -0.302 NA
ATOM     27  C   LIG    1        5.813  -1.022  -1.471  0.00  0.00    +0.084 C 
ATOM     28  C   LIG    1        7.092  -0.643  -2.232  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1        7.368   0.850  -2.143  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1        7.461   1.304  -0.685  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1        6.783   0.339   0.295  0.00  0.00    +0.084 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 6