REMARK  Name = BDB002290
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.040   3.457   0.535  0.00  0.00    -0.312 N 
ATOM      2  C   LIG    1        0.874   2.107   0.379  0.00  0.00    +0.167 A 
ATOM      3  C   LIG    1        2.129   1.556   0.569  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        2.228   0.149   0.466  0.00  0.00    +0.158 A 
ATOM      5  N   LIG    1        1.058  -0.497   0.154  0.00  0.00    -0.197 NA
ATOM      6  C   LIG    1       -0.117   0.138  -0.016  0.00  0.00    +0.222 A 
ATOM      7  N   LIG    1        3.052   2.559   0.824  0.00  0.00    -0.231 NA
ATOM      8  N   LIG    1       -0.266   1.466   0.098  0.00  0.00    -0.195 NA
ATOM      9  C   LIG    1        2.365   3.680   0.794  0.00  0.00    +0.201 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        0.197   5.347  -0.804  0.00  0.00    +0.030 C 
ATOM     11  C   LIG    1       -0.006   4.464   0.427  0.00  0.00    +0.084 C 
ATOM     12  C   LIG    1       -0.125   5.302   1.700  0.00  0.00    +0.030 C 
ENDBRANCH   1  11
BRANCH   4  13
ATOM     13  N   LIG    1        3.415  -0.611   0.617  0.00  0.00    -0.286 N 
ATOM     14  C   LIG    1        4.644   0.140   0.876  0.00  0.00    +0.137 C 
BRANCH  13  15
ATOM     15  C   LIG    1        3.529  -2.015   0.521  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        4.605  -2.626  -0.146  0.00  0.00    +0.023 A 
ATOM     17  C   LIG    1        4.710  -4.018  -0.245  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        3.736  -4.833   0.323  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        2.658  -4.256   0.987  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.561  -2.865   1.081  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH   4  13
BRANCH   6  21
ATOM     21  N   LIG    1       -1.231  -0.625  -0.300  0.00  0.00    -0.294 N 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.066  -2.035  -0.635  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.548  -2.967   0.463  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -1.508  -2.615   1.821  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -1.914  -3.520   2.805  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.347  -4.796   2.448  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -2.370  -5.172   1.106  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -1.972  -4.265   0.121  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
BRANCH  21  29
ATOM     29  C   LIG    1       -2.507   0.027  -0.579  0.00  0.00    +0.123 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.547   0.633  -2.002  0.00  0.00    +0.102 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -3.867   1.178  -2.393  0.00  0.00    -0.307 NA
ATOM     32  C   LIG    1       -3.865   1.504  -3.821  0.00  0.00    +0.104 C 
ATOM     33  C   LIG    1       -4.206   2.372  -1.615  0.00  0.00    +0.104 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  21  29
ENDBRANCH   6  21
TORSDOF 9