REMARK  Name = BDB049906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.017  -1.312  -0.268  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        0.725  -0.155  -0.261  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1        0.342   0.759  -0.057  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.034  -0.468  -0.518  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1        2.028  -1.852  -0.641  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1        3.236  -2.530  -0.865  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        4.424  -1.792  -0.939  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        4.408  -0.401  -0.811  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        3.204   0.295  -0.617  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1        0.755  -2.353  -0.511  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        3.216   1.767  -0.509  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        4.175   2.374  -0.052  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        2.122   2.430  -0.999  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        1.576   2.000  -1.734  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        2.246   3.434  -1.071  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  16
ATOM     16  C   LIG    1       -1.507  -1.293  -0.045  0.00  0.00    +0.117 C 
ATOM     17  C   LIG    1       -1.945  -2.529   0.748  0.00  0.00    +0.032 C 
BRANCH  16  18
ATOM     18  N   LIG    1       -1.881  -0.046   0.653  0.00  0.00    -0.307 NA
ATOM     19  H   LIG    1       -1.721  -0.173   1.654  0.00  0.00    +0.123 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.281   0.319   0.432  0.00  0.00    +0.081 C 
BRANCH  20  22
ATOM     21  C   LIG    1       -2.837   2.823   0.627  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -3.623   1.628   1.150  0.00  0.00    +0.012 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5