REMARK  Name = BDB007705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.726  -0.188  -1.447  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.242  -1.146  -1.670  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.060  -2.078  -1.318  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.848   0.830  -2.116  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1        3.866  -0.218   0.617  0.00  0.00    +0.122 A 
ATOM      6  N   LIG    1        3.433  -0.833   1.744  0.00  0.00    -0.240 NA
ATOM      7  C   LIG    1        2.146  -1.233   1.840  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1        1.218  -1.068   0.839  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1        1.656  -0.454  -0.323  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1        2.981  -0.023  -0.437  0.00  0.00    +0.056 A 
BRANCH   5  11
ATOM     11  N   LIG    1        5.202   0.163   0.548  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1        5.667   1.053  -0.505  0.00  0.00    +0.130 C 
BRANCH  11  13
ATOM     13  C   LIG    1        5.953   0.177   1.814  0.00  0.00    +0.121 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.566  -1.206   2.118  0.00  0.00    +0.099 C 
BRANCH  14  16
ATOM     15  C   LIG    1        7.866  -2.523   3.664  0.00  0.00    +0.101 C 
ATOM     16  N   LIG    1        7.318  -1.198   3.388  0.00  0.00    -0.317 NA
ATOM     17  H   LIG    1        6.675  -0.945   4.138  0.00  0.00    +0.122 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  11  13
ENDBRANCH   5  11
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  C   LIG    1       -1.176  -1.009  -2.776  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.500  -1.748  -2.547  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.390  -1.492  -3.644  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -3.990  -0.785  -3.320  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -3.237  -1.421  -1.223  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.028  -0.170  -1.248  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -5.044  -0.188  -0.184  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.905   1.048  -0.229  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -5.270   2.288  -0.387  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -6.022   3.467  -0.354  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -7.406   3.407  -0.195  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -8.043   2.174  -0.061  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.771   2.303  -0.504  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -7.295   0.996  -0.069  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.182   1.041  -1.176  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 10