REMARK  Name = BDB063982
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.287  -0.714   0.008  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1        0.028  -1.888  -0.609  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -0.855  -2.369  -0.650  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        1.193  -2.422  -1.050  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.381  -3.480  -1.617  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        2.186  -1.388  -0.651  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.493  -1.526  -0.909  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.540  -0.363   0.008  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.565  -0.585  -0.547  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.380   0.807  -0.576  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.462   1.644  -0.250  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.716   1.134   0.087  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.685   2.080   0.383  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.168   3.282   0.270  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.896  -0.262   0.097  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.522   3.367  -0.191  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.823  -1.104  -0.225  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -0.680   0.043   0.591  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1       -0.277   0.917   0.914  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.037   0.196   0.051  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.853  -1.070   0.278  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1       -2.830  -1.750   1.507  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.570  -2.919   1.688  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.349  -3.420   0.648  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.393  -2.750  -0.573  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.652  -1.581  -0.757  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -2.723   1.442   0.701  0.00  0.00    +0.110 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -4.702   2.797   0.990  0.00  0.00    +0.104 C 
ATOM     29  N   LIG    1       -4.017   1.849   0.107  0.00  0.00    -0.306 NA
ATOM     30  C   LIG    1       -3.848   2.443  -1.221  0.00  0.00    +0.104 C 
ENDBRANCH  27  29
ENDBRANCH  20  27
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6