REMARK  Name = BDB061034
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.972  -1.187  -0.758  0.00  0.00    -0.310 N 
ATOM      2  H   LIG    1        1.102  -1.292   0.250  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        2.065  -1.514  -1.543  0.00  0.00    +0.235 C 
ATOM      4  O   LIG    1        2.221  -1.093  -2.686  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   7
ATOM      5  N   LIG    1       -2.345   0.585  -0.941  0.00  0.00    -0.165 NA
ATOM      6  C   LIG    1       -1.340  -0.360  -0.425  0.00  0.00    +0.132 C 
ATOM      7  C   LIG    1       -0.024  -0.221  -1.208  0.00  0.00    +0.089 C 
ATOM      8  C   LIG    1        0.530   1.213  -1.125  0.00  0.00    +0.025 C 
ATOM      9  C   LIG    1       -0.532   2.248  -0.757  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -1.895   1.921  -1.354  0.00  0.00    +0.110 C 
BRANCH   5  11
ATOM     11  S   LIG    1       -3.961   0.269  -0.681  0.00  0.00    +0.099 S 
ATOM     12  O   LIG    1       -4.194  -1.121  -1.000  0.00  0.00    -0.141 OA
ATOM     13  O   LIG    1       -4.758   1.319  -1.269  0.00  0.00    -0.141 OA
BRANCH  11  15
ATOM     14  C   LIG    1       -3.882   1.792   1.538  0.00  0.00    +0.132 C 
ATOM     15  N   LIG    1       -4.048   0.422   1.010  0.00  0.00    -0.172 NA
ATOM     16  C   LIG    1       -5.252  -0.227   1.582  0.00  0.00    +0.132 C 
ENDBRANCH  11  15
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  C   LIG    1        3.093  -2.394  -0.834  0.00  0.00    +0.243 C 
BRANCH  17  18
ATOM     18  N   LIG    1        4.019  -1.562  -0.069  0.00  0.00    -0.219 N 
ATOM     19  C   LIG    1        3.604  -1.020   1.145  0.00  0.00    +0.288 A 
ATOM     20  O   LIG    1        2.467  -1.189   1.589  0.00  0.00    -0.265 OA
ATOM     21  C   LIG    1        4.609  -0.195   1.874  0.00  0.00    +0.126 A 
ATOM     22 CL   LIG    1        4.106   0.507   3.371  0.00  0.00    -0.076 Cl
ATOM     23  C   LIG    1        5.827  -0.022   1.362  0.00  0.00    +0.084 A 
ATOM     24 CL   LIG    1        7.093   0.895   2.068  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1        6.111  -0.680   0.081  0.00  0.00    +0.154 A 
ATOM     26  N   LIG    1        5.280  -1.405  -0.593  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 5