REMARK  Name = BDB015765
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.272   0.365   0.099  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        0.916  -0.922   0.174  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1       -0.394  -1.198   0.149  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.377  -0.292   0.037  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.001   0.995  -0.032  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.329   1.370  -0.016  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.110   1.974  -0.174  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.047   3.176   0.433  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.068   4.112   0.334  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.913   5.384   1.021  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.235   3.870  -0.387  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -5.165   4.662  -0.514  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.326   2.537  -1.034  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.322   1.660  -0.919  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.630   0.740   0.088  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        2.771   1.448   0.804  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.614  -0.353   0.192  0.00  0.00    +0.069 C 
ATOM     18  C   LIG    1        3.817  -0.988  -1.187  0.00  0.00    +0.028 C 
BRANCH  17  19
ATOM     19  C   LIG    1        4.932   0.246   0.733  0.00  0.00    +0.022 C 
BRANCH  19  21
ATOM     20  C   LIG    1        7.242  -0.175   1.650  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1        6.017  -0.800   0.999  0.00  0.00    -0.002 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  22
ATOM     22  O   LIG    1       -0.704  -2.552   0.217  0.00  0.00    -0.422 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -2.046  -2.860   0.251  0.00  0.00    +0.153 A 
ATOM     24  C   LIG    1       -2.744  -2.865   1.466  0.00  0.00    +0.084 A 
ATOM     25 CL   LIG    1       -1.969  -2.481   2.960  0.00  0.00    -0.080 Cl
ATOM     26  C   LIG    1       -4.099  -3.196   1.488  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1       -4.753  -3.534   0.303  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -4.052  -3.554  -0.905  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -2.687  -3.233  -0.944  0.00  0.00    -0.007 A 
ATOM     30  C   LIG    1       -1.949  -3.248  -2.252  0.00  0.00    +0.047 C 
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 7