REMARK  Name = BDB032317
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.266  -0.561   0.615  0.00  0.00    +0.122 A 
ATOM      2  N   LIG    1        1.520  -1.460  -0.058  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1        0.213  -1.599   0.270  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1       -0.419  -0.886   1.278  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1        0.354   0.039   1.973  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        1.702   0.196   1.644  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        8.433   0.924  -1.336  0.00  0.00    +0.088 C 
ATOM      8  C   LIG    1        7.413  -0.145  -1.366  0.00  0.00    +0.130 A 
ATOM      9  N   LIG    1        6.159  -0.040  -0.840  0.00  0.00    -0.312 N 
ATOM     10  C   LIG    1        5.543   1.069  -0.146  0.00  0.00    +0.143 C 
ATOM     11  C   LIG    1        4.012   0.943  -0.124  0.00  0.00    +0.128 C 
ATOM     12  N   LIG    1        3.629  -0.414   0.306  0.00  0.00    -0.306 N 
ATOM     13  C   LIG    1        4.130  -1.474  -0.611  0.00  0.00    +0.182 C 
ATOM     14  C   LIG    1        5.541  -1.242  -1.047  0.00  0.00    +0.151 A 
ATOM     15  N   LIG    1        6.367  -2.039  -1.689  0.00  0.00    -0.133 NA
ATOM     16  N   LIG    1        7.544  -1.349  -1.888  0.00  0.00    -0.135 NA
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  C   LIG    1       -1.876  -1.098   1.578  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -2.675  -0.422   0.565  0.00  0.00    -0.339 N 
ATOM     19  H   LIG    1       -2.311   0.505   0.361  0.00  0.00    +0.146 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -4.081  -0.395   0.656  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1       -4.836   0.407  -0.260  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -6.252   0.437  -0.180  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -6.958   1.271  -1.085  0.00  0.00    +0.124 A 
ATOM     24  N   LIG    1       -6.356   2.019  -2.025  0.00  0.00    -0.240 NA
ATOM     25  C   LIG    1       -5.018   1.952  -2.107  0.00  0.00    +0.113 A 
ATOM     26  C   LIG    1       -6.894  -0.371   0.784  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -6.166  -1.198   1.631  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -4.234   1.181  -1.270  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1       -4.777  -1.218   1.556  0.00  0.00    +0.023 A 
BRANCH  23  30
ATOM     30  N   LIG    1       -8.360   1.357  -1.060  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1       -8.661   1.670  -0.143  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1       -8.752   0.439  -1.241  0.00  0.00    +0.144 HD
ENDBRANCH  23  30
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 5