REMARK  Name = BDB063970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.175   0.197  -1.046  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -0.235   0.261  -2.393  0.00  0.00    -0.253 N 
ATOM      3  H   LIG    1       -1.070   0.172  -2.955  0.00  0.00    +0.158 HD
ATOM      4  C   LIG    1        0.990   0.576  -2.880  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        1.333   0.759  -4.031  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.808   0.656  -1.639  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        3.114   0.950  -1.671  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        1.004   0.414  -0.544  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        4.018   1.076  -0.517  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        3.896   0.266   0.623  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.820   0.421   1.672  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        5.862   1.348   1.609  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        6.694   1.387   2.717  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        6.284   0.506   3.600  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.986   2.144   0.454  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        4.906  -0.417   3.177  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.069   1.996  -0.595  0.00  0.00    +0.010 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.264  -0.071  -0.280  0.00  0.00    -0.308 N 
ATOM     19  H   LIG    1       -0.994  -0.245   0.685  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.427  -0.842  -0.715  0.00  0.00    +0.129 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.162  -1.345   0.519  0.00  0.00    -0.025 A 
ATOM     22  C   LIG    1       -3.298  -2.724   0.742  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.970  -3.198   1.870  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.510  -2.303   2.791  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.377  -0.931   2.587  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.707  -0.454   1.460  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
BRANCH  20  27
ATOM     27  C   LIG    1       -3.374  -0.002  -1.608  0.00  0.00    +0.186 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -3.718   0.845  -3.789  0.00  0.00    +0.194 C 
ATOM     29  O   LIG    1       -2.858   0.079  -2.950  0.00  0.00    -0.381 OA
ENDBRANCH  27  29
ENDBRANCH  20  27
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 6