REMARK  Name = BDB050449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.982  -1.108   0.939  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1       -0.614  -1.293   0.665  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1        0.189  -2.189   1.368  0.00  0.00    +0.003 A 
ATOM      4  C   LIG    1        1.514  -2.105   0.827  0.00  0.00    -0.022 A 
ATOM      5  C   LIG    1        1.480  -1.161  -0.187  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1        2.688  -2.896   1.285  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1       -0.398  -2.953   2.398  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -1.756  -2.796   2.688  0.00  0.00    +0.001 A 
ATOM      9  N   LIG    1        0.192  -0.697  -0.280  0.00  0.00    -0.357 N 
ATOM     10  H   LIG    1       -0.135  -0.007  -0.943  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -2.533  -1.890   1.970  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -2.974   1.178   0.599  0.00  0.00    +0.051 A 
ATOM     13  C   LIG    1       -2.785  -0.150   0.171  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1       -3.401  -0.531  -1.041  0.00  0.00    -0.038 A 
ATOM     15  C   LIG    1       -3.283  -1.929  -1.588  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -4.144   0.417  -1.754  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -4.256   1.705  -1.262  0.00  0.00    +0.117 A 
ATOM     18  N   LIG    1       -3.691   2.093  -0.112  0.00  0.00    -0.237 NA
BRANCH  17  19
ATOM     19  N   LIG    1       -5.003   2.663  -1.941  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1       -4.908   3.530  -1.419  0.00  0.00    +0.144 HD
ATOM     21  H   LIG    1       -4.696   2.764  -2.901  0.00  0.00    +0.144 HD
ENDBRANCH  17  19
BRANCH  12  23
ATOM     22  C   LIG    1       -1.065   2.453   1.622  0.00  0.00    +0.010 C 
ATOM     23  C   LIG    1       -2.373   1.718   1.876  0.00  0.00    +0.053 C 
ENDBRANCH  12  23
ENDBRANCH   1  13
BRANCH   5  24
ATOM     24  C   LIG    1        2.552  -0.646  -1.096  0.00  0.00    +0.062 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.350   0.470  -0.428  0.00  0.00    +0.102 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.417   1.022  -1.349  0.00  0.00    +0.213 C 
ATOM     27  N   LIG    1        5.205   1.978  -0.742  0.00  0.00    -0.318 N 
ATOM     28  H   LIG    1        4.920   2.344   0.158  0.00  0.00    +0.148 HD
ATOM     29  C   LIG    1        6.218   2.686  -1.482  0.00  0.00    +0.128 C 
ATOM     30  O   LIG    1        4.561   0.667  -2.513  0.00  0.00    -0.276 OA
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 6