REMARK  Name = BDB051627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.175   0.155  -1.107  0.00  0.00    +0.065 A 
ATOM      2  C   LIG    1       -0.280  -0.534  -0.268  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.099  -0.429  -0.465  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        1.591   0.383  -1.490  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        0.710   1.050  -2.346  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -0.671   0.943  -2.153  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.045   0.494  -1.734  0.00  0.00    +0.247 C 
ATOM      8  N   LIG    1        3.883   0.914  -0.700  0.00  0.00    -0.296 N 
ATOM      9  C   LIG    1        5.324   0.901  -0.979  0.00  0.00    +0.123 C 
ATOM     10  C   LIG    1        6.251   1.218   0.213  0.00  0.00    +0.100 C 
ATOM     11  N   LIG    1        6.186   0.340   1.388  0.00  0.00    -0.314 NA
ATOM     12  H   LIG    1        6.813  -0.452   1.242  0.00  0.00    +0.122 HD
ATOM     13  C   LIG    1        4.861  -0.187   1.705  0.00  0.00    +0.082 C 
ATOM     14  C   LIG    1        3.727   0.836   1.792  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1        3.434   1.611   0.506  0.00  0.00    +0.109 C 
ATOM     16  O   LIG    1        3.456   0.199  -2.854  0.00  0.00    -0.270 OA
ENDBRANCH   4   7
BRANCH   1  21
ATOM     17  C   LIG    1       -5.383  -1.254   0.904  0.00  0.00    +0.064 A 
ATOM     18  C   LIG    1       -4.379  -0.671   0.099  0.00  0.00    +0.105 A 
ATOM     19  C   LIG    1       -4.754   0.164  -1.014  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1       -3.602   0.592  -1.610  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1       -2.577   0.028  -0.882  0.00  0.00    -0.239 N 
ATOM     22  C   LIG    1       -6.037   0.496  -1.434  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -7.015  -0.103  -0.616  0.00  0.00    +0.001 A 
ATOM     24  N   LIG    1       -3.038  -0.706   0.164  0.00  0.00    -0.166 NA
ATOM     25  C   LIG    1       -6.709  -0.940   0.502  0.00  0.00    +0.015 A 
BRANCH  17  29
ATOM     26  N   LIG    1       -5.944  -2.053   3.111  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1       -6.554  -1.258   3.243  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1       -5.655  -2.561   3.937  0.00  0.00    +0.145 HD
ATOM     29  C   LIG    1       -5.084  -2.132   2.046  0.00  0.00    +0.244 C 
ATOM     30  O   LIG    1       -4.134  -2.900   2.072  0.00  0.00    -0.270 OA
ENDBRANCH  17  29
ENDBRANCH   1  21
TORSDOF 3