REMARK  Name = BDB049922
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.257   0.375  -1.136  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -0.821   0.090   0.085  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1       -0.329   0.091   0.972  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -2.136  -0.245  -0.106  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -2.313  -0.147  -1.479  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -3.569  -0.439  -2.030  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -4.606  -0.833  -1.175  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -4.401  -0.924   0.206  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -3.155  -0.618   0.780  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -1.152   0.242  -2.099  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -2.872  -0.686   2.235  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -1.724  -0.650   2.665  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -3.934  -0.750   3.092  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -4.874  -0.512   2.813  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -3.712  -0.674   4.077  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  16
ATOM     16  C   LIG    1        1.198   0.798  -1.262  0.00  0.00    +0.072 C 
ATOM     17  C   LIG    1        1.713   0.421  -2.666  0.00  0.00    +0.035 C 
ATOM     18  C   LIG    1        1.260   2.328  -1.087  0.00  0.00    +0.035 C 
BRANCH  16  19
ATOM     19  N   LIG    1        1.966   0.072  -0.223  0.00  0.00    -0.305 NA
ATOM     20  H   LIG    1        1.973  -0.919  -0.470  0.00  0.00    +0.123 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.338   0.521  -0.001  0.00  0.00    +0.081 C 
BRANCH  21  23
ATOM     22  C   LIG    1        3.402  -0.329   2.405  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        4.043  -0.376   1.024  0.00  0.00    +0.012 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5