REMARK  Name = BDB049908
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.218   0.403  -0.768  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -0.857   0.378   0.447  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1       -0.472   0.028   1.317  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -2.121   0.886   0.285  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -2.189   1.204  -1.064  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -3.367   1.764  -1.577  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -4.440   1.994  -0.706  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -4.347   1.663   0.650  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -3.180   1.084   1.180  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -1.014   0.893  -1.702  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -3.015   0.703   2.605  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -1.912   0.441   3.071  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -4.138   0.614   3.378  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -5.065   0.552   2.985  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -4.005   0.236   4.308  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  17
ATOM     16  C   LIG    1        1.716   0.153  -2.333  0.00  0.00    +0.032 C 
ATOM     17  C   LIG    1        1.199  -0.093  -0.911  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.224  -1.516  -0.536  0.00  0.00    -0.307 NA
ATOM     19  H   LIG    1        0.714  -2.031  -1.255  0.00  0.00    +0.123 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.555  -2.095  -0.400  0.00  0.00    +0.085 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.252  -1.556   0.810  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1        4.718  -1.842   1.015  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        4.267  -0.445   0.701  0.00  0.00    +0.005 C 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 5