REMARK  Name = BDB007839
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.043  -0.110  -0.393  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.078   0.819  -0.374  0.00  0.00    -0.233 NA
ATOM      3  C   LIG    1       -0.219   0.415  -0.318  0.00  0.00    +0.083 A 
ATOM      4  C   LIG    1       -1.268   1.478  -0.297  0.00  0.00    +0.172 C 
ATOM      5  N   LIG    1       -2.489   1.050   0.375  0.00  0.00    -0.249 N 
ATOM      6  C   LIG    1       -2.979  -0.247   0.117  0.00  0.00    +0.318 C 
ATOM      7  N   LIG    1       -2.018  -1.208  -0.286  0.00  0.00    -0.222 N 
ATOM      8  O   LIG    1       -4.178  -0.523   0.214  0.00  0.00    -0.251 OA
ATOM      9  C   LIG    1       -0.623  -0.908  -0.335  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        0.399  -1.863  -0.335  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        1.739  -1.464  -0.369  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.442  -2.539  -0.619  0.00  0.00    +0.044 A 
ATOM     13  C   LIG    1       -1.981  -3.167  -1.788  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1       -2.406  -4.456  -2.113  0.00  0.00    +0.043 A 
ATOM     15 CL   LIG    1       -1.817  -5.210  -3.544  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1       -3.302  -5.136  -1.294  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1       -3.784  -4.518  -0.142  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -3.360  -3.227   0.189  0.00  0.00    +0.024 A 
ENDBRANCH   7  12
BRANCH   5  19
ATOM     19  C   LIG    1       -3.328   2.054   0.981  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1       -4.307   1.700   1.923  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1       -5.104   2.672   2.533  0.00  0.00    +0.043 A 
ATOM     22 CL   LIG    1       -6.290   2.203   3.691  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1       -4.941   4.018   2.226  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -3.971   4.393   1.303  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.170   3.421   0.691  0.00  0.00    +0.023 A 
ENDBRANCH   5  19
BRANCH   1  27
ATOM     26  C   LIG    1        3.880   1.547  -0.423  0.00  0.00    +0.235 C 
ATOM     27  N   LIG    1        3.393   0.252  -0.444  0.00  0.00    -0.269 N 
ATOM     28  H   LIG    1        4.064  -0.498  -0.449  0.00  0.00    +0.156 HD
ATOM     29  O   LIG    1        3.204   2.571  -0.333  0.00  0.00    -0.274 OA
BRANCH  26  30
ATOM     30  C   LIG    1        5.423   1.646  -0.537  0.00  0.00    +0.137 C 
ATOM     31  C   LIG    1        6.001   0.847  -1.704  0.00  0.00    +0.034 C 
BRANCH  30  33
ATOM     32  C   LIG    1        6.153   0.052   1.245  0.00  0.00    +0.101 C 
ATOM     33  N   LIG    1        6.099   1.417   0.758  0.00  0.00    -0.309 NA
ATOM     34  H   LIG    1        7.047   1.790   0.698  0.00  0.00    +0.122 HD
ENDBRANCH  30  33
ENDBRANCH  26  30
ENDBRANCH   1  27
TORSDOF 5