REMARK  Name = BDB034701
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.767   1.243  -1.396  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1        0.588   1.002  -1.125  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1        1.283   1.060  -2.331  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        2.644   0.860  -2.393  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        3.307   0.589  -1.189  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        2.619   0.529   0.047  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1        0.363   1.331  -3.349  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        0.676   1.450  -4.743  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        1.228   0.737   0.070  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1       -0.929   1.434  -2.788  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -1.972   1.637  -3.387  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        3.269   0.214   1.260  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        2.822   0.645   2.068  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.461  -0.497   1.528  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        5.267  -0.184   2.639  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        6.446  -0.897   2.816  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        7.527  -0.621   4.130  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        6.877  -1.877   1.991  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        6.094  -2.164   0.935  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        4.903  -1.510   0.666  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.885   0.838   3.561  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        4.514   1.664   4.287  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1       -1.843   1.217  -0.432  0.00  0.00    +0.131 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -3.149  -0.424   1.106  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1       -2.367  -0.204  -0.198  0.00  0.00    +0.023 C 
ATOM     26  C   LIG    1       -3.317  -0.708  -1.287  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1       -4.153  -1.804  -0.626  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1       -3.801  -1.785   0.862  0.00  0.00    +0.015 C 
BRANCH  24  29
ATOM     29  C   LIG    1       -4.204   0.619   1.440  0.00  0.00    +0.310 C 
ATOM     30  O   LIG    1       -4.555   1.536   0.714  0.00  0.00    -0.251 OA
BRANCH  29  32
ATOM     31  C   LIG    1       -5.697   1.317   3.105  0.00  0.00    +0.280 C 
ATOM     32  O   LIG    1       -4.692   0.389   2.693  0.00  0.00    -0.468 OA
ENDBRANCH  29  32
ENDBRANCH  24  29
ENDBRANCH  23  25
ENDBRANCH   1  23
TORSDOF 7