REMARK  Name = BDB000735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.317   1.014   1.368  0.00  0.00    +0.141 A 
ATOM      2  C   LIG    1       -0.801   1.796   1.133  0.00  0.00    +0.084 A 
ATOM      3  C   LIG    1       -0.547   3.012   1.801  0.00  0.00    +0.158 A 
ATOM      4  N   LIG    1        0.631   3.005   2.433  0.00  0.00    -0.180 NA
ATOM      5  N   LIG    1        1.114   1.779   2.176  0.00  0.00    -0.271 N 
ATOM      6  H   LIG    1        2.000   1.524   2.597  0.00  0.00    +0.189 HD
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -0.265  -1.013   0.359  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        0.590  -0.324   0.910  0.00  0.00    +0.264 C 
ATOM      9  N   LIG    1        1.882  -0.767   1.100  0.00  0.00    -0.307 N 
ATOM     10  H   LIG    1        2.617  -0.082   1.220  0.00  0.00    +0.149 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.351  -2.031   0.531  0.00  0.00    +0.076 C 
ATOM     12  C   LIG    1        2.694  -1.862  -0.952  0.00  0.00    +0.037 C 
ATOM     13  C   LIG    1        3.861  -0.886  -1.153  0.00  0.00    +0.082 C 
ATOM     14  N   LIG    1        4.754  -0.788   0.011  0.00  0.00    -0.316 NA
ATOM     15  H   LIG    1        5.667  -0.450  -0.301  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        4.904  -2.082   0.670  0.00  0.00    +0.082 C 
ATOM     17  C   LIG    1        3.583  -2.530   1.304  0.00  0.00    +0.037 C 
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   2  18
ATOM     18  N   LIG    1       -1.885   1.376   0.383  0.00  0.00    -0.278 N 
ATOM     19  H   LIG    1       -1.830   0.423   0.027  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1       -2.993   2.152   0.126  0.00  0.00    +0.251 C 
ATOM     21  O   LIG    1       -3.195   3.305   0.484  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -4.023   1.474  -0.676  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1       -3.905   1.417  -2.070  0.00  0.00    +0.054 A 
ATOM     24 CL   LIG    1       -2.558   2.094  -2.914  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -4.897   0.787  -2.828  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1       -6.006   0.219  -2.200  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -6.123   0.276  -0.811  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -5.135   0.904  -0.046  0.00  0.00    +0.054 A 
ATOM     29 CL   LIG    1       -5.332   0.912   1.670  0.00  0.00    -0.083 Cl
ENDBRANCH  20  22
ENDBRANCH   2  18
TORSDOF 4