REMARK  Name = BDB045970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.219  -0.100  -1.935  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -3.143   0.065  -1.070  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -2.429  -0.868  -0.177  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -1.444  -0.151   0.492  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1       -1.373   1.223   0.043  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -2.660  -2.056  -0.059  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -2.502   1.308  -0.929  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -2.909   2.424  -1.644  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -3.982   2.283  -2.518  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.624   1.042  -2.661  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -0.479  -0.792   1.398  0.00  0.00    +0.079 C 
ATOM     12  C   LIG    1        0.651  -1.500   0.643  0.00  0.00    +0.038 C 
ATOM     13  C   LIG    1        1.798  -0.565   0.267  0.00  0.00    +0.086 C 
ATOM     14  N   LIG    1        2.316   0.138   1.450  0.00  0.00    -0.298 NA
ATOM     15  C   LIG    1        1.270   0.957   2.071  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        0.071   0.114   2.504  0.00  0.00    +0.038 C 
BRANCH  14  17
ATOM     17  C   LIG    1        3.483   0.975   1.119  0.00  0.00    +0.120 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.683   0.117   0.826  0.00  0.00    -0.026 A 
ATOM     19  C   LIG    1        5.261  -0.769   1.719  0.00  0.00    +0.050 A 
ATOM     20  S   LIG    1        6.619  -1.579   1.071  0.00  0.00    -0.105 S 
ATOM     21  C   LIG    1        6.467  -0.754  -0.417  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1        5.402   0.119  -0.417  0.00  0.00    +0.012 A 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   4  11
BRANCH   1  26
ATOM     23  N   LIG    1       -4.814  -2.443  -1.413  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1       -4.038  -2.545  -0.759  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -5.301  -3.288  -1.675  0.00  0.00    +0.145 HD
ATOM     26  C   LIG    1       -5.002  -1.343  -2.189  0.00  0.00    +0.242 C 
ATOM     27  O   LIG    1       -5.835  -1.383  -3.091  0.00  0.00    -0.270 OA
ENDBRANCH   1  26
TORSDOF 4