REMARK  Name = BDB034980
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.061  -2.099  -1.335  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -2.853  -0.870  -0.494  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -1.594  -0.585   0.035  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -1.491   0.598   0.803  0.00  0.00    +0.095 A 
ATOM      5  C   LIG    1       -0.247   0.902   1.332  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1        0.848   0.079   1.097  0.00  0.00    +0.149 A 
ATOM      7  C   LIG    1        0.649  -1.071   0.353  0.00  0.00    +0.157 A 
ATOM      8  N   LIG    1       -2.521   1.434   1.045  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -3.716   1.124   0.526  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1       -0.544  -1.410  -0.185  0.00  0.00    -0.250 NA
ATOM     11  C   LIG    1       -3.924  -0.002  -0.249  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -4.752   2.019   0.770  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -4.390   2.740   1.389  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1       -5.565   1.559   1.162  0.00  0.00    +0.144 HD
ENDBRANCH   9  12
BRANCH   6  15
ATOM     15  O   LIG    1        2.042   0.424   1.676  0.00  0.00    -0.453 OA
BRANCH  15  16
ATOM     16  C   LIG    1        3.173   0.299   0.910  0.00  0.00    +0.147 A 
ATOM     17  C   LIG    1        4.288  -0.301   1.478  0.00  0.00    +0.156 A 
ATOM     18  N   LIG    1        5.468  -0.462   0.834  0.00  0.00    -0.260 NA
ATOM     19  C   LIG    1        5.539   0.021  -0.426  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        4.488   0.658  -1.068  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        3.284   0.807  -0.383  0.00  0.00    +0.049 A 
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 3