REMARK  Name = BDB021023
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.920   6.154  -2.754  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.034   5.395  -1.800  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.507   4.179  -1.319  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -0.663   3.508  -0.329  0.00  0.00    +0.163 C 
ATOM      5  C   LIG    1       -1.074   2.094  -0.121  0.00  0.00    +0.064 A 
ATOM      6  N   LIG    1       -2.207   1.551  -0.681  0.00  0.00    -0.328 N 
ATOM      7  C   LIG    1       -2.273   0.222  -0.345  0.00  0.00    +0.114 A 
ATOM      8  N   LIG    1       -1.242  -0.100   0.410  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -3.091   2.295  -1.551  0.00  0.00    +0.142 C 
ATOM     10  C   LIG    1       -0.500   1.046   0.570  0.00  0.00    +0.094 A 
ATOM     11  C   LIG    1       -2.921   3.796  -1.341  0.00  0.00    +0.129 C 
ATOM     12  O   LIG    1        0.064   5.851  -1.481  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1        0.740   1.064   1.323  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        1.645  -0.001   1.155  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        2.858  -0.019   1.875  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        3.997  -0.867   1.982  0.00  0.00    +0.103 A 
ATOM     17  N   LIG    1        4.920  -0.367   2.816  0.00  0.00    -0.170 NA
ATOM     18  N   LIG    1        4.365   0.769   3.268  0.00  0.00    -0.266 N 
ATOM     19  C   LIG    1        5.085   1.578   4.222  0.00  0.00    +0.173 C 
ATOM     20  C   LIG    1        3.129   1.042   2.738  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        2.240   2.107   2.938  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        1.039   2.094   2.219  0.00  0.00    +0.012 A 
BRANCH  16  23
ATOM     23  C   LIG    1        4.223  -2.131   1.286  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        5.430  -2.757   1.058  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1        5.139  -3.906   0.388  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        6.076  -4.896  -0.083  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        3.822  -4.083   0.171  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        3.265  -3.003   0.733  0.00  0.00    +0.144 A 
ENDBRANCH  16  23
ENDBRANCH  10  13
BRANCH   7  29
ATOM     29  C   LIG    1       -3.349  -0.724  -0.808  0.00  0.00    +0.058 C 
ATOM     30  C   LIG    1       -3.559  -1.881   0.188  0.00  0.00    +0.026 C 
ATOM     31  C   LIG    1       -2.760  -3.118  -0.220  0.00  0.00    +0.085 C 
ATOM     32  N   LIG    1       -3.127  -3.631  -1.550  0.00  0.00    -0.305 NA
ATOM     33  C   LIG    1       -4.012  -4.789  -1.471  0.00  0.00    +0.104 C 
ATOM     34  C   LIG    1       -3.670  -2.611  -2.453  0.00  0.00    +0.085 C 
ATOM     35  C   LIG    1       -3.027  -1.246  -2.219  0.00  0.00    +0.026 C 
ENDBRANCH   7  29
TORSDOF 3