REMARK  Name = BDB064452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.751   0.856  -0.541  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -1.056   2.062  -0.348  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        0.225   2.106  -0.902  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.969   3.268  -0.758  0.00  0.00    +0.029 A 
ATOM      5  C   LIG    1        0.477   4.384  -0.070  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -0.796   4.363   0.506  0.00  0.00    -0.017 A 
ATOM      7  N   LIG    1        0.766   1.078  -1.557  0.00  0.00    -0.214 NA
ATOM      8  C   LIG    1        0.037  -0.034  -1.675  0.00  0.00    +0.217 A 
ATOM      9  C   LIG    1       -1.552   3.191   0.360  0.00  0.00    +0.022 A 
ATOM     10  N   LIG    1       -1.199  -0.178  -1.194  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -1.321   5.524   1.241  0.00  0.00    -0.018 A 
ATOM     12  C   LIG    1       -0.599   6.096   2.302  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -1.097   7.199   3.001  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -2.327   7.750   2.650  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -3.059   7.198   1.602  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -2.560   6.095   0.904  0.00  0.00    +0.008 A 
ENDBRANCH   6  11
BRANCH   1  17
ATOM     17  N   LIG    1       -3.054   0.721  -0.013  0.00  0.00    -0.328 N 
ATOM     18  H   LIG    1       -3.617   1.482  -0.385  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -3.723  -0.569  -0.188  0.00  0.00    +0.103 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.619  -1.425   1.079  0.00  0.00    +0.019 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.245  -2.043   1.359  0.00  0.00    +0.002 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.867  -3.148   0.367  0.00  0.00    -0.000 C 
BRANCH  22  24
ATOM     23  C   LIG    1       -0.212  -4.370   1.880  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1       -0.437  -3.661   0.554  0.00  0.00    -0.003 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   8  25
ATOM     25  N   LIG    1        0.550  -1.151  -2.329  0.00  0.00    -0.313 N 
ATOM     26  H   LIG    1       -0.078  -1.903  -2.065  0.00  0.00    +0.149 HD
BRANCH  25  27
ATOM     27  C   LIG    1        1.950  -1.408  -2.016  0.00  0.00    +0.105 C 
BRANCH  27  28
ATOM     28  C   LIG    1        2.373  -2.718  -2.684  0.00  0.00    +0.034 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.857  -3.040  -2.468  0.00  0.00    +0.085 C 
BRANCH  29  30
ATOM     30  N   LIG    1        4.251  -3.163  -1.055  0.00  0.00    -0.308 NA
ATOM     31  C   LIG    1        5.712  -3.219  -0.944  0.00  0.00    +0.104 C 
ATOM     32  C   LIG    1        3.665  -4.346  -0.420  0.00  0.00    +0.104 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   8  25
TORSDOF 12