REMARK  Name = BDB015734
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.837   0.969   0.966  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        0.489  -0.069   0.190  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.661   0.050  -0.496  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.443   1.185  -0.418  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -1.002   2.194   0.412  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.142   2.107   1.097  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.040  -1.100  -1.361  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.060  -1.860  -1.891  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.321  -2.950  -2.709  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        0.806  -3.702  -3.237  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.614  -3.342  -3.039  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -1.908  -4.286  -3.766  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.702  -2.528  -2.437  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.415  -1.483  -1.651  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1       -1.697   3.392   0.561  0.00  0.00    -0.327 N 
ATOM     16  H   LIG    1       -1.135   3.946   1.210  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -3.098   3.311   0.987  0.00  0.00    +0.066 C 
ATOM     18  C   LIG    1       -3.202   2.877   2.449  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1       -3.727   4.692   0.801  0.00  0.00    +0.027 C 
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  20
ATOM     20  O   LIG    1        2.022   0.922   1.694  0.00  0.00    -0.422 OA
BRANCH  20  23
ATOM     21  C   LIG    1        4.164   0.763  -0.179  0.00  0.00    +0.047 C 
ATOM     22  C   LIG    1        3.797  -0.371   0.736  0.00  0.00    -0.007 A 
ATOM     23  C   LIG    1        2.718  -0.264   1.631  0.00  0.00    +0.153 A 
ATOM     24  C   LIG    1        2.396  -1.325   2.488  0.00  0.00    +0.084 A 
ATOM     25 CL   LIG    1        1.123  -1.201   3.648  0.00  0.00    -0.080 Cl
ATOM     26  C   LIG    1        3.121  -2.515   2.424  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        4.171  -2.643   1.515  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.508  -1.578   0.678  0.00  0.00    +0.007 A 
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 5