REMARK  Name = BDB022460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.865   1.780  -0.823  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -0.713   1.068  -0.439  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1        0.550   1.683  -0.363  0.00  0.00    -0.035 A 
ATOM      4  C   LIG    1        0.649   3.046  -0.677  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.481   3.771  -1.051  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.725   3.143  -1.122  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -5.604  -0.207  -1.150  0.00  0.00    +0.058 A 
ATOM      8  N   LIG    1       -4.514  -0.752  -1.745  0.00  0.00    -0.258 NA
ATOM      9  C   LIG    1       -3.340  -0.082  -1.620  0.00  0.00    +0.119 A 
ATOM     10  C   LIG    1       -3.171   1.111  -0.917  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -4.315   1.633  -0.303  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -5.539   0.972  -0.414  0.00  0.00    +0.025 A 
BRANCH   7  13
ATOM     13  C   LIG    1       -6.903  -0.972  -1.256  0.00  0.00    +0.160 C 
BRANCH  13  15
ATOM     14  C   LIG    1       -7.628  -1.655   0.985  0.00  0.00    +0.237 C 
ATOM     15  N   LIG    1       -7.018  -1.957  -0.201  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1       -6.343  -2.709  -0.226  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1       -8.215  -0.604   1.214  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1       -7.281  -3.982   1.862  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1       -7.487  -2.673   2.057  0.00  0.00    +0.059 C 
ENDBRANCH  14  19
ENDBRANCH  13  15
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   3  20
ATOM     20  C   LIG    1        1.802   0.908   0.053  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1        1.633   0.294   1.447  0.00  0.00    +0.022 C 
BRANCH  20  22
ATOM     22  C   LIG    1        2.196  -0.183  -0.953  0.00  0.00    +0.225 C 
ATOM     23  N   LIG    1        3.484  -0.612  -1.088  0.00  0.00    -0.268 N 
ATOM     24  H   LIG    1        3.581  -1.341  -1.780  0.00  0.00    +0.156 HD
ATOM     25  O   LIG    1        1.357  -0.756  -1.661  0.00  0.00    -0.275 OA
BRANCH  23  26
ATOM     26  C   LIG    1        4.638  -0.213  -0.458  0.00  0.00    +0.147 A 
ATOM     27  N   LIG    1        4.734   0.732   0.478  0.00  0.00    -0.158 NA
ATOM     28  N   LIG    1        6.040   0.769   0.791  0.00  0.00    -0.280 N 
ATOM     29  H   LIG    1        6.355   1.429   1.494  0.00  0.00    +0.189 HD
ATOM     30  C   LIG    1        6.783  -0.128   0.088  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1        5.907  -0.780  -0.741  0.00  0.00    +0.068 A 
BRANCH  30  32
ATOM     32  C   LIG    1        8.307  -0.339   0.188  0.00  0.00    +0.037 C 
ATOM     33  C   LIG    1        8.834  -1.712   0.506  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1        8.917  -0.623   1.535  0.00  0.00    +0.010 C 
ENDBRANCH  30  32
ENDBRANCH  23  26
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 8