REMARK  Name = BDB060777
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.685   0.081  -0.094  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1        2.131  -0.152   0.780  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -2.589   0.069  -0.001  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -1.804  -0.214   1.123  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1       -0.400  -0.207   1.072  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.289   0.089  -0.109  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -0.482   0.379  -1.231  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.887   0.369  -1.176  0.00  0.00    +0.025 A 
BRANCH   3  14
ATOM      9  C   LIG    1       -9.027   0.845   0.984  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -8.284  -0.017  -0.006  0.00  0.00    +0.213 C 
ATOM     11  N   LIG    1       -6.905  -0.044   0.099  0.00  0.00    -0.299 N 
ATOM     12  C   LIG    1       -6.133   0.662   1.127  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -4.709   0.105   1.315  0.00  0.00    +0.124 C 
ATOM     14  N   LIG    1       -3.974   0.068   0.042  0.00  0.00    -0.327 N 
ATOM     15  C   LIG    1       -4.759  -0.181  -1.184  0.00  0.00    +0.124 C 
ATOM     16  C   LIG    1       -6.128  -0.813  -0.877  0.00  0.00    +0.126 C 
ATOM     17  O   LIG    1       -8.899  -0.662  -0.854  0.00  0.00    -0.276 OA
ENDBRANCH   3  14
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        2.667   0.319  -1.051  0.00  0.00    +0.220 A 
ATOM     19  N   LIG    1        3.927   0.193  -0.606  0.00  0.00    -0.213 NA
ATOM     20  C   LIG    1        4.932   0.411  -1.485  0.00  0.00    +0.097 A 
ATOM     21  C   LIG    1        4.700   0.751  -2.800  0.00  0.00    +0.050 A 
ATOM     22  C   LIG    1        3.385   0.856  -3.163  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        2.365   0.646  -2.315  0.00  0.00    -0.223 NA
BRANCH  20  24
ATOM     24  C   LIG    1        6.309   0.269  -0.980  0.00  0.00    +0.118 A 
ATOM     25  C   LIG    1        6.740  -0.081   0.345  0.00  0.00    +0.029 A 
ATOM     26  C   LIG    1        8.130  -0.077   0.291  0.00  0.00    +0.066 A 
ATOM     27  C   LIG    1        8.945  -0.370   1.390  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        8.307  -0.679   2.594  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1        6.917  -0.694   2.687  0.00  0.00    +0.001 A 
ATOM     30  N   LIG    1        8.436   0.257  -0.996  0.00  0.00    -0.276 N 
ATOM     31  H   LIG    1        9.360   0.356  -1.400  0.00  0.00    +0.189 HD
ATOM     32  C   LIG    1        6.122  -0.397   1.573  0.00  0.00    +0.012 A 
ATOM     33  N   LIG    1        7.373   0.471  -1.785  0.00  0.00    -0.171 NA
ENDBRANCH  20  24
ENDBRANCH   1  18
TORSDOF 4