REMARK  Name = BDB061033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.382  -2.249  -0.081  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1        1.581  -3.233   0.060  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1        2.510  -1.486  -0.069  0.00  0.00    +0.240 C 
ATOM      4  O   LIG    1        3.584  -2.078   0.093  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -4.250  -1.964  -0.553  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -2.760  -1.913  -0.423  0.00  0.00    -0.006 A 
ATOM      7  C   LIG    1       -1.990  -0.750  -0.522  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1       -0.590  -0.799  -0.430  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1        0.017  -2.019  -0.218  0.00  0.00    +0.127 A 
ATOM     10  N   LIG    1       -0.702  -3.154  -0.120  0.00  0.00    -0.240 NA
ATOM     11  C   LIG    1       -2.049  -3.086  -0.230  0.00  0.00    +0.118 A 
BRANCH   7  12
ATOM     12  S   LIG    1       -2.741   0.842  -0.793  0.00  0.00    +0.061 S 
ATOM     13  O   LIG    1       -1.684   1.830  -0.877  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1       -3.701   0.694  -1.865  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  N   LIG    1       -3.582   1.128   0.668  0.00  0.00    -0.183 NA
ATOM     16  C   LIG    1       -4.564   2.232   0.560  0.00  0.00    +0.131 C 
ATOM     17  C   LIG    1       -2.728   1.283   1.869  0.00  0.00    +0.131 C 
ENDBRANCH  12  15
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  C   LIG    1        2.443   0.027  -0.251  0.00  0.00    +0.243 C 
BRANCH  18  19
ATOM     19  N   LIG    1        3.772   0.622  -0.146  0.00  0.00    -0.219 N 
ATOM     20  C   LIG    1        4.294   0.878   1.121  0.00  0.00    +0.288 A 
ATOM     21  O   LIG    1        3.641   0.722   2.152  0.00  0.00    -0.265 OA
ATOM     22  C   LIG    1        5.700   1.371   1.160  0.00  0.00    +0.126 A 
ATOM     23 CL   LIG    1        6.376   1.696   2.717  0.00  0.00    -0.076 Cl
ATOM     24  C   LIG    1        6.377   1.544   0.024  0.00  0.00    +0.084 A 
ATOM     25 CL   LIG    1        7.993   2.105  -0.107  0.00  0.00    -0.080 Cl
ATOM     26  C   LIG    1        5.671   1.241  -1.227  0.00  0.00    +0.154 A 
ATOM     27  N   LIG    1        4.455   0.814  -1.325  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 5