REMARK  Name = BDB034697
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.712   0.141   1.983  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1        0.614   0.031   1.539  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        1.376  -0.471   2.593  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        2.729  -0.689   2.466  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        3.314  -0.384   1.229  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.553   0.117   0.144  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1        0.523  -0.686   3.682  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        0.914  -1.232   4.948  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        1.173   0.329   0.312  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -0.791  -0.329   3.313  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -1.799  -0.417   3.996  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        3.141   0.462  -1.092  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        2.494   0.378  -1.875  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.450   0.879  -1.421  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        5.015   0.591  -2.678  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        6.324   0.993  -2.916  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        7.142   0.709  -4.406  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        7.098   1.643  -2.018  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        6.543   1.908  -0.822  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        5.250   1.547  -0.483  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.269  -0.098  -3.682  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        3.617  -0.644  -4.471  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1       -1.840   0.551   1.184  0.00  0.00    +0.130 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.438  -0.622   0.408  0.00  0.00    +0.065 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.678  -0.198  -0.387  0.00  0.00    +0.228 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.271  -1.443  -1.071  0.00  0.00    +0.336 C 
ATOM     27  O   LIG    1       -4.290  -1.649  -2.278  0.00  0.00    -0.248 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -4.803  -2.282  -0.134  0.00  0.00    -0.466 OA
ATOM     29  C   LIG    1       -5.379  -3.471  -0.677  0.00  0.00    +0.280 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
BRANCH  25  30
ATOM     30  O   LIG    1       -3.267   0.833  -1.288  0.00  0.00    -0.366 OA
BRANCH  30  32
ATOM     31  C   LIG    1       -3.808   2.599  -2.796  0.00  0.00    +0.034 C 
ATOM     32  C   LIG    1       -4.365   1.532  -1.873  0.00  0.00    +0.157 C 
ENDBRANCH  30  32
ENDBRANCH  25  30
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 10