REMARK  Name = BDB049963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.613   0.424  -1.565  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1       -0.538   0.381  -0.697  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.786   0.762  -1.161  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.675   0.721   0.086  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        1.017  -0.397   0.899  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.468  -0.177   0.644  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -1.437   0.735  -2.745  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -4.899  -0.361  -0.129  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1       -5.126  -0.453  -1.443  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -3.943  -0.147  -1.997  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1       -3.866  -0.119  -3.010  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1       -2.937   0.094  -1.097  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1       -3.550  -0.013   0.136  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -7.134   0.406   0.722  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -5.994  -0.604   0.870  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -6.529  -2.036   0.790  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1        3.075   0.473  -0.203  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1        3.397   0.611  -1.153  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1        4.020   0.522   0.805  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1        3.737   0.699   1.984  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1        5.441   0.390   0.383  0.00  0.00    +0.037 A 
ATOM     22  C   LIG    1        5.812  -0.330  -0.761  0.00  0.00    +0.013 A 
ATOM     23  C   LIG    1        7.159  -0.428  -1.117  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        8.137   0.183  -0.333  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.774   0.887   0.815  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        6.430   0.987   1.176  0.00  0.00    +0.013 A 
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 4