REMARK  Name = BDB001995
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.821  -0.883  -0.093  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        0.748  -0.390   0.599  0.00  0.00    +0.116 A 
ATOM      3  C   LIG    1       -0.318  -0.482  -0.273  0.00  0.00    +0.089 A 
ATOM      4  N   LIG    1        0.102  -1.028  -1.470  0.00  0.00    -0.236 NA
ATOM      5  C   LIG    1        1.382  -1.278  -1.321  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -1.693  -0.073  -0.023  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -2.098   0.485   1.198  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -3.428   0.868   1.403  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -4.368   0.699   0.389  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -3.982   0.146  -0.829  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -2.654  -0.236  -1.032  0.00  0.00    +0.010 A 
ENDBRANCH   3   6
BRANCH   1  12
ATOM     12  C   LIG    1        3.187  -0.958   0.383  0.00  0.00    +0.218 C 
BRANCH  12  16
ATOM     13  N   LIG    1        3.603   1.250  -0.657  0.00  0.00    -0.328 N 
ATOM     14  H   LIG    1        4.072   2.147  -0.618  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        2.701   1.238  -1.120  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1        3.929   0.363   0.328  0.00  0.00    +0.230 C 
ATOM     17  O   LIG    1        4.858   0.618   1.091  0.00  0.00    -0.274 OA
ENDBRANCH  12  16
ENDBRANCH   1  12
TORSDOF 3