REMARK  Name = BDB034865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.502   1.431   1.398  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -0.608   1.705   0.797  0.00  0.00    +0.154 C 
ATOM      3  N   LIG    1       -1.707   0.910   0.506  0.00  0.00    -0.280 N 
ATOM      4  C   LIG    1       -3.083   1.392   0.627  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1       -3.282   2.733  -0.065  0.00  0.00    +0.030 C 
ATOM      6  C   LIG    1       -2.363   3.786   0.520  0.00  0.00    +0.078 C 
ATOM      7  S   LIG    1       -0.644   3.369   0.183  0.00  0.00    -0.092 S 
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -1.555  -0.367  -0.096  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1       -2.182  -1.543   0.370  0.00  0.00    +0.062 A 
ATOM     10 CL   LIG    1       -3.171  -1.574   1.792  0.00  0.00    -0.082 Cl
ATOM     11  C   LIG    1       -1.972  -2.772  -0.271  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -1.131  -2.856  -1.378  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -0.493  -1.714  -1.847  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -0.704  -0.486  -1.214  0.00  0.00    +0.025 A 
ENDBRANCH   3   8
BRANCH   1  16
ATOM     15  O   LIG    1       -0.094  -0.146   2.947  0.00  0.00    -0.268 OA
ATOM     16  C   LIG    1        0.597   0.210   1.999  0.00  0.00    +0.271 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.634  -0.643   1.417  0.00  0.00    +0.065 A 
ATOM     18  C   LIG    1        2.611  -0.362   0.401  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        3.325  -1.537   0.185  0.00  0.00    +0.139 A 
ATOM     20  N   LIG    1        4.327  -1.746  -0.689  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        4.638  -0.644  -1.407  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1        4.021   0.593  -1.297  0.00  0.00    +0.020 A 
ATOM     23  N   LIG    1        2.840  -2.492   1.031  0.00  0.00    -0.345 N 
ATOM     24  H   LIG    1        3.200  -3.434   1.073  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        2.983   0.751  -0.378  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        1.824  -1.971   1.782  0.00  0.00    +0.098 A 
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 3