REMARK  Name = BDB021721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.833  -0.119   0.076  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.661  -1.074   0.700  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        3.009  -0.863   0.503  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        3.269   0.088   0.290  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.193  -1.996   1.363  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.075  -1.715   0.854  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        5.371  -1.184   0.776  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        6.493  -1.962   1.098  0.00  0.00    -0.049 A 
ATOM      9  C   LIG    1        7.874  -1.388   0.985  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1        6.309  -3.296   1.473  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        5.024  -3.833   1.545  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        3.912  -3.046   1.236  0.00  0.00    +0.023 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     13  N   LIG    1       -3.421  -0.325   0.160  0.00  0.00    -0.300 NA
ATOM     14  C   LIG    1       -2.725  -1.506  -0.370  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1       -1.248  -1.261  -0.700  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -0.625  -0.271   0.290  0.00  0.00    +0.080 C 
ATOM     17  C   LIG    1       -1.404   1.061   0.308  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -2.818   0.931  -0.271  0.00  0.00    +0.086 C 
BRANCH  13  19
ATOM     19  C   LIG    1       -4.889  -0.421   0.031  0.00  0.00    +0.054 C 
ATOM     20  C   LIG    1       -5.539   0.396   1.155  0.00  0.00    +0.024 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -5.422  -0.036  -1.370  0.00  0.00    +0.018 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -7.788   0.926  -1.371  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -6.919  -0.307  -1.575  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH   1  16
BRANCH   1  24
ATOM     24  C   LIG    1        1.282   0.604  -1.123  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.100   1.848  -0.845  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        1.983   2.575   0.349  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        2.752   3.721   0.564  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.639   4.161  -0.415  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.756   3.458  -1.612  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        2.989   2.312  -1.828  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7