REMARK  Name = BDB034764
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.819  -1.262   0.903  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1        0.540  -1.034   0.646  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        1.226  -2.223   0.890  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        2.589  -2.317   0.726  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        3.265  -1.164   0.304  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.583   0.050   0.041  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1        0.292  -3.190   1.281  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        0.590  -4.559   1.581  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        1.190   0.108   0.223  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -0.997  -2.614   1.272  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -2.056  -3.168   1.521  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        3.260   1.225  -0.350  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        2.676   1.853  -0.899  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.583   1.665  -0.120  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        5.248   2.495  -1.042  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        6.563   2.851  -0.773  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        7.499   3.860  -1.811  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        7.255   2.452   0.318  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        6.604   1.659   1.188  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        5.295   1.242   1.010  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.594   2.956  -2.225  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        4.015   3.318  -3.163  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1       -1.888  -0.315   0.702  0.00  0.00    +0.130 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.403  -0.346  -0.739  0.00  0.00    +0.058 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.525   0.666  -1.024  0.00  0.00    +0.088 C 
ATOM     26  C   LIG    1       -3.836   0.677  -2.527  0.00  0.00    +0.044 C 
BRANCH  25  27
ATOM     27  O   LIG    1       -3.053   1.977  -0.679  0.00  0.00    -0.387 OA
ATOM     28  H   LIG    1       -3.844   2.553  -0.724  0.00  0.00    +0.210 HD
ENDBRANCH  25  27
BRANCH  25  29
ATOM     29  C   LIG    1       -4.802   0.378  -0.204  0.00  0.00    +0.193 C 
BRANCH  29  31
ATOM     30  C   LIG    1       -6.991   1.165   0.207  0.00  0.00    +0.194 C 
ATOM     31  O   LIG    1       -5.775   1.394  -0.495  0.00  0.00    -0.380 OA
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 9