REMARK  Name = BDB007840
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.992   0.882  -0.113  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.262  -0.226   0.065  0.00  0.00    -0.233 NA
ATOM      3  C   LIG    1       -0.074  -0.101   0.284  0.00  0.00    +0.083 A 
ATOM      4  C   LIG    1       -0.856  -1.358   0.491  0.00  0.00    +0.172 C 
ATOM      5  N   LIG    1       -2.250  -1.225   0.085  0.00  0.00    -0.249 N 
ATOM      6  C   LIG    1       -2.940  -0.045   0.430  0.00  0.00    +0.318 C 
ATOM      7  N   LIG    1       -2.145   1.112   0.618  0.00  0.00    -0.222 N 
ATOM      8  O   LIG    1       -4.164  -0.026   0.583  0.00  0.00    -0.251 OA
ATOM      9  C   LIG    1       -0.737   1.110   0.380  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        0.039   2.254   0.167  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        1.412   2.142  -0.076  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.769   2.341   1.020  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -2.236   3.102   2.074  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -2.855   4.287   2.476  0.00  0.00    +0.044 A 
ATOM     15 CL   LIG    1       -2.173   5.206   3.761  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1       -4.014   4.731   1.850  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -4.557   3.973   0.818  0.00  0.00    +0.044 A 
ATOM     18 CL   LIG    1       -5.990   4.513   0.032  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1       -3.949   2.785   0.407  0.00  0.00    +0.044 A 
ENDBRANCH   7  12
BRANCH   5  20
ATOM     20  C   LIG    1       -2.966  -2.409  -0.320  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1       -4.165  -2.310  -1.045  0.00  0.00    +0.043 A 
ATOM     22  C   LIG    1       -4.853  -3.453  -1.463  0.00  0.00    +0.044 A 
ATOM     23 CL   LIG    1       -6.314  -3.289  -2.358  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1       -4.365  -4.721  -1.175  0.00  0.00    +0.040 A 
ATOM     25  C   LIG    1       -3.176  -4.834  -0.467  0.00  0.00    +0.044 A 
ATOM     26 CL   LIG    1       -2.555  -6.397  -0.097  0.00  0.00    -0.083 Cl
ATOM     27  C   LIG    1       -2.477  -3.697  -0.046  0.00  0.00    +0.043 A 
ENDBRANCH   5  20
BRANCH   1  29
ATOM     28  C   LIG    1        4.105  -0.368  -0.407  0.00  0.00    +0.235 C 
ATOM     29  N   LIG    1        3.369   0.805  -0.350  0.00  0.00    -0.269 N 
ATOM     30  H   LIG    1        3.859   1.677  -0.484  0.00  0.00    +0.156 HD
ATOM     31  O   LIG    1        3.679  -1.511  -0.261  0.00  0.00    -0.274 OA
BRANCH  28  32
ATOM     32  C   LIG    1        5.600  -0.104  -0.712  0.00  0.00    +0.137 C 
ATOM     33  C   LIG    1        5.769   0.119  -2.213  0.00  0.00    +0.034 C 
BRANCH  32  35
ATOM     34  C   LIG    1        6.613  -1.307   1.143  0.00  0.00    +0.101 C 
ATOM     35  N   LIG    1        6.439  -1.251  -0.305  0.00  0.00    -0.309 NA
ATOM     36  H   LIG    1        5.944  -2.102  -0.594  0.00  0.00    +0.122 HD
ENDBRANCH  32  35
ENDBRANCH  28  32
ENDBRANCH   1  29
TORSDOF 5