REMARK  Name = BDB052531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.978   0.264   0.129  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1        2.419   1.048   0.586  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -2.282   0.230   0.322  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -1.587  -0.786  -0.342  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -0.184  -0.791  -0.420  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.582   0.214   0.169  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -0.108   1.226   0.848  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.508   1.231   0.923  0.00  0.00    +0.025 A 
BRANCH   3  14
ATOM      9  C   LIG    1       -8.738  -0.724  -0.099  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -7.913   0.537  -0.131  0.00  0.00    +0.213 C 
ATOM     11  N   LIG    1       -6.540   0.400   0.029  0.00  0.00    -0.299 N 
ATOM     12  C   LIG    1       -5.753   1.630   0.179  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -4.279   1.464  -0.231  0.00  0.00    +0.124 C 
ATOM     14  N   LIG    1       -3.681   0.279   0.435  0.00  0.00    -0.327 N 
ATOM     15  C   LIG    1       -4.436  -0.957   0.150  0.00  0.00    +0.124 C 
ATOM     16  C   LIG    1       -5.907  -0.804   0.583  0.00  0.00    +0.126 C 
ATOM     17  O   LIG    1       -8.457   1.627  -0.310  0.00  0.00    -0.276 OA
ENDBRANCH   3  14
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        2.961  -0.534  -0.447  0.00  0.00    +0.220 A 
ATOM     19  N   LIG    1        4.218  -0.111  -0.244  0.00  0.00    -0.214 NA
ATOM     20  C   LIG    1        5.223  -0.833  -0.783  0.00  0.00    +0.084 A 
ATOM     21  C   LIG    1        5.003  -1.978  -1.514  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        3.689  -2.336  -1.666  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        2.666  -1.637  -1.149  0.00  0.00    -0.223 NA
BRANCH  20  24
ATOM     24  C   LIG    1        6.562  -0.299  -0.511  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        7.045   0.387   0.597  0.00  0.00    +0.057 A 
ATOM     26  C   LIG    1        6.298   0.739   1.835  0.00  0.00    +0.067 C 
ATOM     27  N   LIG    1        8.379   0.766   0.521  0.00  0.00    -0.230 NA
ATOM     28  C   LIG    1        8.896   0.383  -0.617  0.00  0.00    +0.156 A 
ATOM     29  S   LIG    1        7.828  -0.437  -1.671  0.00  0.00    -0.051 S 
BRANCH  28  30
ATOM     30  N   LIG    1       10.172   0.627  -0.958  0.00  0.00    -0.338 N 
ATOM     31  H   LIG    1       10.618   1.353  -0.408  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1       10.379   0.689  -1.947  0.00  0.00    +0.144 HD
ENDBRANCH  28  30
ENDBRANCH  20  24
ENDBRANCH   1  18
TORSDOF 5