REMARK  Name = BDB022932
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.743   0.890   1.629  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1        0.077   0.164   0.769  0.00  0.00    -0.292 N 
ATOM      3  C   LIG    1       -0.321  -0.470  -0.500  0.00  0.00    +0.078 C 
ATOM      4  C   LIG    1       -0.447  -1.992  -0.353  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        0.670  -0.085  -1.614  0.00  0.00    +0.060 C 
ATOM      6  C   LIG    1        2.094  -0.276  -1.194  0.00  0.00    -0.005 A 
ATOM      7  C   LIG    1        2.471  -0.276   0.136  0.00  0.00    +0.067 A 
ATOM      8  N   LIG    1        3.759  -0.435   0.519  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        4.693  -0.572  -0.438  0.00  0.00    +0.220 A 
ATOM     10  N   LIG    1        4.409  -0.563  -1.749  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1        3.120  -0.410  -2.100  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        1.442  -0.126   1.237  0.00  0.00    +0.163 C 
ATOM     13  O   LIG    1       -0.311   1.273   2.719  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -3.156   0.060   1.296  0.00  0.00    +0.045 C 
ATOM     15  C   LIG    1       -2.169   1.258   1.177  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -2.682   2.471   1.977  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1       -3.078   2.144   3.425  0.00  0.00    +0.085 C 
ATOM     18  N   LIG    1       -3.593   0.782   3.608  0.00  0.00    -0.305 NA
ATOM     19  C   LIG    1       -4.476   0.704   4.767  0.00  0.00    +0.104 C 
ATOM     20  C   LIG    1       -4.224   0.268   2.397  0.00  0.00    +0.093 C 
BRANCH  14  24
ATOM     21  C   LIG    1       -5.695   1.417  -2.895  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -5.087   0.352  -2.030  0.00  0.00    -0.050 A 
ATOM     23  C   LIG    1       -4.429   0.696  -0.840  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -3.877  -0.289  -0.005  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -4.038  -1.636  -0.363  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.704  -1.988  -1.537  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.227  -0.998  -2.367  0.00  0.00    +0.003 A 
ENDBRANCH  14  24
ENDBRANCH   1  15
BRANCH   9  28
ATOM     28  N   LIG    1        5.997  -0.727   0.034  0.00  0.00    -0.281 N 
ATOM     29  H   LIG    1        5.951  -0.693   1.045  0.00  0.00    +0.155 HD
BRANCH  28  30
ATOM     30  C   LIG    1        7.172  -0.889  -0.604  0.00  0.00    +0.071 A 
ATOM     31  C   LIG    1        7.427  -0.954  -1.950  0.00  0.00    +0.131 A 
ATOM     32  N   LIG    1        8.775  -1.124  -2.072  0.00  0.00    -0.273 N 
ATOM     33  C   LIG    1        9.524  -1.246  -3.298  0.00  0.00    +0.172 C 
ATOM     34  N   LIG    1        9.422  -1.178  -0.891  0.00  0.00    -0.178 NA
ATOM     35  C   LIG    1        8.438  -1.033   0.003  0.00  0.00    +0.157 A 
ENDBRANCH  28  30
ENDBRANCH   9  28
TORSDOF 4