REMARK  Name = BDB003015
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.369  -0.350   0.408  0.00  0.00    -0.219 N 
ATOM      2  C   LIG    1        0.469  -0.955  -0.495  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1        0.123  -1.597  -1.476  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        1.888  -0.723  -0.109  0.00  0.00    +0.084 C 
ATOM      5  C   LIG    1        2.885  -1.241  -0.833  0.00  0.00    +0.088 C 
ATOM      6  S   LIG    1        1.956   0.230   1.320  0.00  0.00    -0.026 S 
ATOM      7  C   LIG    1        0.208   0.357   1.423  0.00  0.00    +0.286 C 
ATOM      8  O   LIG    1       -0.359   0.990   2.299  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.358  -1.171  -0.630  0.00  0.00    +0.242 C 
ATOM     10  N   LIG    1        4.808  -0.115   0.122  0.00  0.00    -0.282 N 
ATOM     11  H   LIG    1        4.107   0.514   0.495  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1        5.042  -2.030  -1.177  0.00  0.00    -0.270 OA
BRANCH  10  13
ATOM     13  C   LIG    1        6.142   0.199   0.457  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        7.249  -0.545   0.044  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        8.542  -0.165   0.421  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        8.732   0.963   1.214  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       10.322   1.429   1.678  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1        7.639   1.715   1.634  0.00  0.00    +0.022 A 
ATOM     19  C   LIG    1        6.348   1.333   1.255  0.00  0.00    +0.025 A 
ENDBRANCH  10  13
ENDBRANCH   5   9
BRANCH   1  20
ATOM     20  C   LIG    1       -1.806  -0.316   0.197  0.00  0.00    +0.213 C 
BRANCH  20  23
ATOM     21  N   LIG    1       -3.433   1.184  -1.019  0.00  0.00    -0.284 N 
ATOM     22  H   LIG    1       -3.448   2.028  -1.582  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1       -2.150   0.897  -0.657  0.00  0.00    +0.235 C 
ATOM     24  O   LIG    1       -1.268   1.672  -1.052  0.00  0.00    -0.274 OA
BRANCH  21  29
ATOM     25  C   LIG    1       -8.710  -0.948  -0.316  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1       -7.322  -0.398  -0.460  0.00  0.00    -0.050 A 
ATOM     27  C   LIG    1       -7.088   0.754  -1.211  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -5.786   1.242  -1.366  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -4.687   0.589  -0.788  0.00  0.00    +0.033 A 
ATOM     30  C   LIG    1       -4.926  -0.570  -0.052  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1       -6.231  -1.061   0.105  0.00  0.00    +0.005 A 
ENDBRANCH  21  29
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 5