REMARK  Name = BDB000181
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.385   0.613  -0.090  0.00  0.00    +0.200 A 
ATOM      2  N   LIG    1       -1.663  -0.454   0.382  0.00  0.00    -0.326 N 
ATOM      3  H   LIG    1       -2.076  -1.313   0.724  0.00  0.00    +0.169 HD
ATOM      4  C   LIG    1       -0.334  -0.137   0.303  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -0.323   1.150  -0.223  0.00  0.00    +0.091 A 
ATOM      6  C   LIG    1        0.905   1.797  -0.425  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1        2.089   1.120  -0.097  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1        2.049  -0.187   0.412  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        0.826  -0.840   0.641  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -1.601   1.596  -0.462  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -4.548  -0.404   0.237  0.00  0.00    +0.236 C 
ATOM     12  N   LIG    1       -3.752   0.650  -0.160  0.00  0.00    -0.255 N 
ATOM     13  H   LIG    1       -4.144   1.505  -0.529  0.00  0.00    +0.158 HD
ATOM     14  O   LIG    1       -4.115  -1.461   0.698  0.00  0.00    -0.274 OA
BRANCH  11  16
ATOM     15  C   LIG    1       -6.466   0.256  -1.304  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1       -6.061  -0.137   0.111  0.00  0.00    +0.135 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -6.475   0.903   1.070  0.00  0.00    -0.320 NA
ATOM     18  H   LIG    1       -6.270   0.577   2.017  0.00  0.00    +0.119 HD
ATOM     19  H   LIG    1       -5.933   1.754   0.942  0.00  0.00    +0.119 HD
ENDBRANCH  16  17
ENDBRANCH  11  16
ENDBRANCH   1  12
BRANCH   8  20
ATOM     20  C   LIG    1        3.296  -0.910   0.774  0.00  0.00    +0.193 C 
ATOM     21  O   LIG    1        3.293  -1.649   1.756  0.00  0.00    -0.287 OA
BRANCH  20  22
ATOM     22  C   LIG    1        4.540  -0.762  -0.022  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        4.510  -0.605  -1.413  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        5.705  -0.481  -2.125  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        6.927  -0.526  -1.454  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.961  -0.704  -0.071  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        5.769  -0.829   0.645  0.00  0.00    +0.012 A 
ENDBRANCH  20  22
ENDBRANCH   8  20
TORSDOF 5