REMARK  Name = BDB046908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.670   0.220   1.622  0.00  0.00    +0.053 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        3.093  -0.207   1.762  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1        4.165   0.114   0.955  0.00  0.00    +0.120 A 
ATOM      4  N   LIG    1        5.293  -0.506   1.466  0.00  0.00    -0.220 N 
ATOM      5  N   LIG    1        4.958  -1.225   2.583  0.00  0.00    -0.173 NA
ATOM      6  C   LIG    1        3.654  -1.031   2.751  0.00  0.00    +0.138 A 
BRANCH   4   7
ATOM      7  C   LIG    1        6.662  -0.495   1.008  0.00  0.00    +0.180 A 
ATOM      8  C   LIG    1        7.075   0.224  -0.123  0.00  0.00    +0.122 A 
ATOM      9  C   LIG    1        8.443   0.134  -0.436  0.00  0.00    +0.070 A 
ATOM     10  C   LIG    1        8.941   0.869  -1.614  0.00  0.00    +0.259 A 
ATOM     11  N   LIG    1        8.007   1.589  -2.306  0.00  0.00    -0.313 N 
ATOM     12  H   LIG    1        8.340   2.097  -3.114  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1        6.698   1.627  -1.943  0.00  0.00    +0.200 A 
ATOM     14  O   LIG    1       10.117   0.839  -1.953  0.00  0.00    -0.267 OA
ATOM     15  C   LIG    1        9.341  -0.618   0.319  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        8.839  -1.286   1.407  0.00  0.00    +0.114 A 
ATOM     17  N   LIG    1        6.212   1.002  -0.927  0.00  0.00    -0.233 NA
ATOM     18  N   LIG    1        7.542  -1.239   1.758  0.00  0.00    -0.234 NA
ENDBRANCH   4   7
ENDBRANCH   1   2
BRANCH   1  19
ATOM     19  C   LIG    1        0.834  -0.806   0.836  0.00  0.00    +0.089 C 
BRANCH  19  23
ATOM     20  C   LIG    1       -3.210  -0.160  -0.530  0.00  0.00    +0.021 C 
ATOM     21  C   LIG    1       -2.369   1.037  -0.068  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1       -0.879   0.690  -0.055  0.00  0.00    +0.085 C 
ATOM     23  N   LIG    1       -0.608  -0.485   0.789  0.00  0.00    -0.302 NA
ATOM     24  C   LIG    1       -1.362  -1.656   0.308  0.00  0.00    +0.085 C 
ATOM     25  C   LIG    1       -2.868  -1.393   0.315  0.00  0.00    +0.023 C 
BRANCH  20  29
ATOM     26  C   LIG    1       -7.443   0.703  -0.562  0.00  0.00    +0.088 A 
ATOM     27  C   LIG    1       -6.744   0.762   0.643  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1       -5.377   0.478   0.659  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1       -4.698   0.145  -0.525  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1       -5.420   0.107  -1.730  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1       -6.787   0.389  -1.753  0.00  0.00    +0.027 A 
BRANCH  26  33
ATOM     32  C   LIG    1       -9.932  -0.500  -0.256  0.00  0.00    +0.200 C 
ATOM     33  S   LIG    1       -9.180   1.072  -0.586  0.00  0.00    -0.006 S 
ATOM     34  O   LIG    1       -9.530   1.461  -1.939  0.00  0.00    -0.170 OA
ATOM     35  O   LIG    1       -9.458   1.950   0.535  0.00  0.00    -0.170 OA
ENDBRANCH  26  33
ENDBRANCH  20  29
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 6