REMARK  Name = BDB041950
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.173   0.196   0.333  0.00  0.00    +0.246 C 
ATOM      2  N   LIG    1       -0.264   1.236   0.310  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.601   2.179   0.459  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.912  -0.930  -0.080  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -3.680  -0.084   0.314  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.526   0.518   0.872  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1       -2.626   1.389   1.973  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -3.873   1.713   2.501  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -5.020   1.175   1.930  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.924   0.297   0.845  0.00  0.00    +0.023 A 
BRANCH   5  12
ATOM     11  C   LIG    1       -4.606  -1.921  -1.040  0.00  0.00    +0.125 C 
ATOM     12  N   LIG    1       -3.587  -0.908  -0.826  0.00  0.00    -0.346 N 
ATOM     13  H   LIG    1       -2.641  -1.310  -0.877  0.00  0.00    +0.146 HD
ENDBRANCH   5  12
ENDBRANCH   1   6
BRANCH   2  14
ATOM     14  C   LIG    1        1.042   1.074  -0.300  0.00  0.00    +0.123 C 
BRANCH  14  15
ATOM     15  C   LIG    1        1.998   0.229   0.550  0.00  0.00    +0.128 C 
BRANCH  15  16
ATOM     16  N   LIG    1        3.292   0.052  -0.106  0.00  0.00    -0.283 N 
ATOM     17  C   LIG    1        4.293   0.978   0.089  0.00  0.00    +0.309 C 
ATOM     18  O   LIG    1        4.146   2.025   0.713  0.00  0.00    -0.252 OA
ATOM     19  N   LIG    1        5.494   0.672  -0.493  0.00  0.00    -0.240 N 
ATOM     20  H   LIG    1        6.241   1.330  -0.327  0.00  0.00    +0.159 HD
ATOM     21  C   LIG    1        5.682  -0.195  -1.534  0.00  0.00    +0.222 C 
ATOM     22  O   LIG    1        6.746  -0.235  -2.147  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1        4.487  -1.009  -1.947  0.00  0.00    +0.115 C 
ATOM     24  C   LIG    1        3.576  -1.213  -0.758  0.00  0.00    +0.118 C 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   2  14
TORSDOF 5