REMARK  Name = BDB028380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.000  -3.141   1.851  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -1.619  -2.804   1.587  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -1.142  -1.955   0.612  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        0.238  -1.966   0.768  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.470  -2.827   1.863  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -0.655  -3.338   2.361  0.00  0.00    -0.179 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.185  -1.198  -0.017  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.082  -0.333   0.628  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.995   0.423  -0.120  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        3.016   0.301  -1.507  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        3.982   1.093  -2.284  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        4.811   1.914  -1.559  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        5.484   2.470  -2.079  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        4.814   2.061  -0.207  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        4.038   1.014  -3.506  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        2.131  -0.565  -2.157  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        3.963   1.367   0.495  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        1.219  -1.313  -1.412  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        3.956   1.527   2.019  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        4.968   2.498   2.452  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        4.781   3.376   1.961  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        5.865   2.204   2.057  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   4   7
BRANCH   3  23
ATOM     23  C   LIG    1       -2.005  -1.234  -0.324  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -2.362   0.116  -0.123  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1       -1.899   0.882   1.102  0.00  0.00    +0.196 C 
ATOM     26  O   LIG    1       -2.103   2.299   1.018  0.00  0.00    -0.375 OA
ATOM     27  C   LIG    1       -3.428   2.610   0.593  0.00  0.00    +0.165 C 
ATOM     28  C   LIG    1       -3.600   2.191  -0.862  0.00  0.00    +0.063 C 
ATOM     29  C   LIG    1       -3.221   0.744  -1.050  0.00  0.00    -0.039 A 
ATOM     30  C   LIG    1       -3.678   0.045  -2.175  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.315  -1.284  -2.371  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -2.487  -1.921  -1.449  0.00  0.00    +0.010 A 
ENDBRANCH   3  23
TORSDOF 4