REMARK  Name = BDB021774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.249  -0.766   0.047  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.403   0.032   0.155  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.584  -0.649  -0.052  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.539  -1.647   0.094  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.333   1.228   0.428  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.899   0.333  -0.119  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1       -3.415  -0.233   1.148  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -2.108  -1.000   0.935  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -1.046  -0.095   0.297  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -1.596   0.572  -0.970  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -2.923   1.276  -0.683  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -5.277   0.867  -0.006  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -5.903   0.940  -1.405  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1       -5.394   2.203   0.769  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -7.345   3.680   0.033  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -6.837   2.656   1.038  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        3.882  -0.110  -0.152  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1        4.952  -1.012  -0.122  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        6.271  -0.557  -0.229  0.00  0.00    +0.017 A 
ATOM     20  C   LIG    1        6.538   0.809  -0.376  0.00  0.00    +0.059 A 
ATOM     21  C   LIG    1        5.469   1.711  -0.416  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1        4.149   1.251  -0.308  0.00  0.00    +0.024 A 
BRANCH  20  23
ATOM     23  C   LIG    1        7.957   1.241  -0.486  0.00  0.00    +0.339 C 
ATOM     24  O   LIG    1        8.901   0.467  -0.462  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        8.041   2.589  -0.615  0.00  0.00    -0.464 OA
ATOM     26  C   LIG    1        9.377   3.080  -0.725  0.00  0.00    +0.280 C 
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH   3  17
BRANCH   1  27
ATOM     27  C   LIG    1        0.243  -2.009  -0.738  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1        0.711  -3.241   0.010  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        0.731  -3.319   1.410  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        1.169  -4.478   2.053  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        1.584  -5.578   1.307  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        1.559  -5.521  -0.084  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        1.122  -4.363  -0.729  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 9