REMARK  Name = BDB012880
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.956  -2.109  -1.162  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1       -2.519  -1.282  -0.982  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1       -2.436  -3.305  -0.678  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1       -1.758  -4.328  -0.676  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1        2.310  -0.491   0.356  0.00  0.00    +0.264 C 
ATOM      6  N   LIG    1        1.435  -0.951  -0.618  0.00  0.00    -0.294 N 
ATOM      7  C   LIG    1        0.350  -1.849  -0.246  0.00  0.00    +0.130 C 
ATOM      8  C   LIG    1       -0.556  -1.930  -1.482  0.00  0.00    +0.092 C 
ATOM      9  C   LIG    1       -0.296  -0.599  -2.182  0.00  0.00    +0.043 C 
ATOM     10  C   LIG    1        1.178  -0.342  -1.916  0.00  0.00    +0.110 C 
ATOM     11  O   LIG    1        2.163  -0.801   1.536  0.00  0.00    -0.268 OA
BRANCH   5  16
ATOM     12  C   LIG    1        4.999   1.899  -0.243  0.00  0.00    +0.066 A 
ATOM     13  N   LIG    1        5.045   1.196  -1.382  0.00  0.00    -0.178 NA
ATOM     14  N   LIG    1        4.103   0.254  -1.220  0.00  0.00    -0.272 N 
ATOM     15  H   LIG    1        4.003  -0.452  -1.941  0.00  0.00    +0.189 HD
ATOM     16  C   LIG    1        3.386   0.370  -0.064  0.00  0.00    +0.121 A 
ATOM     17  C   LIG    1        3.989   1.408   0.619  0.00  0.00    +0.057 A 
BRANCH  12  19
ATOM     18  C   LIG    1        5.206   4.367   0.147  0.00  0.00    +0.014 C 
ATOM     19  C   LIG    1        5.949   3.039  -0.017  0.00  0.00    +0.033 C 
ATOM     20  C   LIG    1        6.861   2.783   1.184  0.00  0.00    +0.014 C 
ENDBRANCH  12  19
ENDBRANCH   5  16
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -3.832  -3.317  -0.132  0.00  0.00    +0.078 A 
ATOM     22  C   LIG    1       -4.568  -2.163   0.192  0.00  0.00    +0.133 A 
ATOM     23  C   LIG    1       -5.876  -2.280   0.683  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -6.439  -3.538   0.895  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.706  -4.686   0.608  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.412  -4.577   0.096  0.00  0.00    +0.017 A 
BRANCH  22  27
ATOM     27  O   LIG    1       -4.021  -0.925  -0.033  0.00  0.00    -0.487 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -4.082  -0.050   1.100  0.00  0.00    +0.264 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -2.938   0.923   0.964  0.00  0.00    -0.010 A 
ATOM     30  C   LIG    1       -1.758   0.742   1.698  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -0.679   1.612   1.533  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -0.769   2.672   0.634  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -1.937   2.863  -0.102  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -3.015   1.990   0.058  0.00  0.00    +0.007 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH   3  21
TORSDOF 7