REMARK  Name = BDB004786
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.187   0.073   0.887  0.00  0.00    -0.320 N 
ATOM      2  H   LIG    1        0.609   0.508   1.712  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.178  -0.082  -0.102  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        2.347  -0.811   0.202  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        3.301  -0.936  -0.827  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1        4.482  -1.653  -0.537  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        4.697  -2.232   0.729  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        3.746  -2.114   1.729  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.072  -0.386  -2.041  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        1.918   0.264  -2.226  0.00  0.00    +0.223 A 
ATOM     11  C   LIG    1        2.579  -1.410   1.466  0.00  0.00    +0.013 A 
ATOM     12  N   LIG    1        0.967   0.450  -1.315  0.00  0.00    -0.220 NA
BRANCH   6  13
ATOM     13  C   LIG    1        5.578  -1.863  -1.535  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        6.556  -2.558  -1.280  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1        5.471  -1.265  -2.754  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        6.158  -1.479  -3.461  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        4.621  -0.770  -3.011  0.00  0.00    +0.145 HD
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -1.002   0.865   0.525  0.00  0.00    +0.116 C 
BRANCH  18  21
ATOM     19  C   LIG    1       -3.701  -0.186  -1.979  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1       -2.728   0.555  -1.301  0.00  0.00    +0.051 A 
ATOM     21  C   LIG    1       -2.036   0.019  -0.203  0.00  0.00    -0.023 A 
ATOM     22  C   LIG    1       -2.346  -1.285   0.210  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -3.315  -2.029  -0.462  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -3.994  -1.481  -1.553  0.00  0.00    +0.045 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -5.237  -0.264  -3.791  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -4.287   0.468  -3.028  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  18  21
BRANCH  18  27
ATOM     27  C   LIG    1       -1.615   1.446   1.844  0.00  0.00    +0.110 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -0.615   2.105   2.732  0.00  0.00    -0.306 NA
ATOM     29  C   LIG    1       -1.230   2.395   4.032  0.00  0.00    +0.104 C 
ATOM     30  C   LIG    1       -0.116   3.350   2.139  0.00  0.00    +0.104 C 
ENDBRANCH  27  28
ENDBRANCH  18  27
ENDBRANCH   1  18
TORSDOF 7