REMARK  Name = BDB033799
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.614  -0.389  -0.526  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1       -1.063  -1.067   0.072  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.490   0.669  -0.746  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1       -2.667   0.570  -0.106  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1       -3.559   1.568  -0.285  0.00  0.00    +0.238 A 
ATOM      6  C   LIG    1       -3.320   2.673  -1.074  0.00  0.00    +0.120 A 
ATOM      7 CL   LIG    1       -4.437   3.952  -1.304  0.00  0.00    -0.076 Cl
ATOM      8  C   LIG    1       -2.091   2.685  -1.682  0.00  0.00    +0.139 A 
ATOM      9  N   LIG    1       -1.171   1.708  -1.532  0.00  0.00    -0.221 NA
BRANCH   5  10
ATOM     10  O   LIG    1       -4.774   1.502   0.371  0.00  0.00    -0.469 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -5.020   0.288   1.090  0.00  0.00    +0.204 C 
ATOM     12  C   LIG    1       -6.530   0.186   1.354  0.00  0.00    +0.155 C 
ATOM     13  C   LIG    1       -6.779   1.139   2.523  0.00  0.00    +0.035 C 
ATOM     14  C   LIG    1       -5.455   1.217   3.288  0.00  0.00    +0.006 C 
ATOM     15  C   LIG    1       -4.448   0.375   2.506  0.00  0.00    +0.047 C 
BRANCH  12  16
ATOM     16  O   LIG    1       -6.907  -1.143   1.712  0.00  0.00    -0.388 OA
ATOM     17  H   LIG    1       -6.586  -1.330   2.611  0.00  0.00    +0.210 HD
ENDBRANCH  12  16
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   1   3
BRANCH   1  21
ATOM     18  C   LIG    1        3.215  -1.497  -1.895  0.00  0.00    +0.105 A 
ATOM     19  C   LIG    1        2.633  -0.329  -2.387  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        1.362   0.051  -1.943  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        0.651  -0.725  -1.020  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        1.262  -1.900  -0.544  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        2.532  -2.292  -0.977  0.00  0.00    +0.030 A 
BRANCH  18  24
ATOM     24  S   LIG    1        4.827  -1.970  -2.462  0.00  0.00    +0.059 S 
ATOM     25  O   LIG    1        5.177  -3.242  -1.868  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1        4.869  -1.756  -3.891  0.00  0.00    -0.153 OA
BRANCH  24  27
ATOM     27  N   LIG    1        5.796  -0.792  -1.778  0.00  0.00    -0.187 NA
ATOM     28  H   LIG    1        6.375  -0.273  -2.435  0.00  0.00    +0.148 HD
BRANCH  27  30
ATOM     29  C   LIG    1        7.545  -1.423  -0.204  0.00  0.00    +0.025 C 
ATOM     30  C   LIG    1        6.147  -0.839  -0.358  0.00  0.00    +0.070 C 
ATOM     31  C   LIG    1        6.085   0.580   0.196  0.00  0.00    +0.025 C 
ENDBRANCH  27  30
ENDBRANCH  24  27
ENDBRANCH  18  24
ENDBRANCH   1  21
TORSDOF 8