REMARK  Name = BDB019391
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.307  -1.779  -1.246  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1        0.406  -1.460  -2.200  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -0.704  -1.268  -0.459  0.00  0.00    +0.234 C 
ATOM      4  O   LIG    1       -0.819  -1.528   0.739  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.611  -0.257  -1.190  0.00  0.00    +0.165 C 
ATOM      6  N   LIG    1       -2.898  -0.137  -0.520  0.00  0.00    -0.283 N 
ATOM      7  C   LIG    1       -3.923  -1.009  -0.815  0.00  0.00    +0.247 C 
ATOM      8  O   LIG    1       -3.841  -1.874  -1.683  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -2.948   1.051   0.320  0.00  0.00    +0.140 C 
ATOM     10  C   LIG    1       -1.542   1.655   0.243  0.00  0.00    +0.134 C 
ATOM     11  C   LIG    1       -1.011   1.142  -1.096  0.00  0.00    +0.065 C 
BRANCH   7  12
ATOM     12  C   LIG    1       -5.187  -0.874  -0.064  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -6.358  -0.561  -0.759  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -7.561  -0.446  -0.062  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -7.592  -0.657   1.318  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.423  -0.993   2.005  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -5.217  -1.109   1.314  0.00  0.00    +0.013 A 
ENDBRANCH   7  12
BRANCH  10  18
ATOM     18  O   LIG    1       -1.551   3.073   0.249  0.00  0.00    -0.390 OA
ATOM     19  H   LIG    1       -1.872   3.361   1.122  0.00  0.00    +0.210 HD
ENDBRANCH  10  18
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  C   LIG    1        1.348  -2.620  -0.705  0.00  0.00    +0.139 C 
BRANCH  20  24
ATOM     21  C   LIG    1        4.874  -0.226   0.057  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1        3.840  -0.294   0.999  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        2.707  -1.076   0.754  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        2.589  -1.807  -0.435  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        3.619  -1.733  -1.381  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        4.752  -0.952  -1.136  0.00  0.00    +0.009 A 
BRANCH  21  29
ATOM     27  C   LIG    1        5.032   2.958   0.578  0.00  0.00    +0.067 C 
ATOM     28  C   LIG    1        6.145   1.972   0.554  0.00  0.00    +0.053 A 
ATOM     29  C   LIG    1        6.047   0.607   0.314  0.00  0.00    +0.042 A 
ATOM     30  S   LIG    1        7.614  -0.101   0.378  0.00  0.00    -0.075 S 
ATOM     31  C   LIG    1        8.281   1.436   0.719  0.00  0.00    +0.156 A 
ATOM     32  N   LIG    1        7.432   2.436   0.787  0.00  0.00    -0.252 NA
ENDBRANCH  21  29
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 6