REMARK  Name = BDB033974
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.298   1.300  -0.208  0.00  0.00    +0.165 C 
ENDROOT
BRANCH   1   4
ATOM      2  N   LIG    1       -2.338   2.684  -0.068  0.00  0.00    -0.313 N 
ATOM      3  H   LIG    1       -2.780   1.890  -0.536  0.00  0.00    +0.149 HD
ATOM      4  C   LIG    1       -1.032   2.545   0.335  0.00  0.00    +0.234 C 
ATOM      5  O   LIG    1       -0.473   3.349   1.084  0.00  0.00    -0.274 OA
BRANCH   2   6
ATOM      6  C   LIG    1       -3.194   3.747   0.422  0.00  0.00    +0.119 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -3.741   3.452   1.827  0.00  0.00    +0.096 C 
BRANCH   7   8
ATOM      8  N   LIG    1       -4.732   4.441   2.250  0.00  0.00    -0.329 NA
ATOM      9  H   LIG    1       -5.547   4.396   1.641  0.00  0.00    +0.118 HD
ATOM     10  H   LIG    1       -5.060   4.206   3.186  0.00  0.00    +0.118 HD
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   2   6
ENDBRANCH   1   4
BRANCH   1  11
ATOM     11  N   LIG    1        1.127   1.529   0.051  0.00  0.00    -0.304 N 
ATOM     12  H   LIG    1        1.361   2.318   0.649  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        2.110   0.802  -0.576  0.00  0.00    +0.217 C 
ATOM     14  O   LIG    1        1.854  -0.088  -1.380  0.00  0.00    -0.276 OA
BRANCH  13  15
ATOM     15  C   LIG    1        3.511   1.247  -0.220  0.00  0.00    +0.136 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.526   0.133  -0.443  0.00  0.00    +0.238 C 
BRANCH  16  17
ATOM     17  O   LIG    1        4.434  -0.775   0.658  0.00  0.00    -0.491 OA
BRANCH  17  18
ATOM     18  C   LIG    1        5.279  -1.849   0.656  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        5.150  -2.695   1.762  0.00  0.00    +0.045 A 
ATOM     20  C   LIG    1        5.952  -3.830   1.887  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        6.891  -4.127   0.902  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        7.025  -3.289  -0.203  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        6.220  -2.153  -0.329  0.00  0.00    +0.045 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   1  24
ATOM     24  C   LIG    1       -0.793   0.022   0.483  0.00  0.00    +0.094 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -1.993  -0.577  -0.198  0.00  0.00    +0.082 A 
ATOM     26  S   LIG    1       -2.207  -2.284  -0.211  0.00  0.00    -0.072 S 
ATOM     27  C   LIG    1       -3.675  -2.098  -1.089  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1       -3.906  -0.737  -1.303  0.00  0.00    +0.079 A 
ATOM     29  C   LIG    1       -5.062  -0.346  -2.011  0.00  0.00    +0.030 A 
ATOM     30  C   LIG    1       -5.950  -1.321  -2.480  0.00  0.00    +0.022 A 
ATOM     31  C   LIG    1       -5.696  -2.669  -2.249  0.00  0.00    +0.042 A 
ATOM     32 CL   LIG    1       -6.804  -3.851  -2.834  0.00  0.00    -0.084 Cl
ATOM     33  C   LIG    1       -4.559  -3.087  -1.553  0.00  0.00    +0.037 A 
ATOM     34  N   LIG    1       -2.949   0.119  -0.779  0.00  0.00    -0.244 NA
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 11