REMARK  Name = BDB045940
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.627   0.413   2.713  0.00  0.00    +0.143 A 
ATOM      2  C   LIG    1        0.782   0.134   4.065  0.00  0.00    +0.099 A 
ATOM      3 CL   LIG    1        2.264   0.337   4.911  0.00  0.00    -0.078 Cl
ATOM      4  C   LIG    1       -0.341  -0.304   4.725  0.00  0.00    +0.137 A 
ATOM      5  N   LIG    1       -1.541  -0.470   4.133  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -1.611  -0.193   2.822  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1       -0.563   0.241   2.099  0.00  0.00    -0.198 NA
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        1.739   0.815   1.952  0.00  0.00    -0.324 N 
ATOM      9  H   LIG    1        2.287   1.508   2.453  0.00  0.00    +0.148 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.459   1.202   0.578  0.00  0.00    +0.138 C 
BRANCH  10  13
ATOM     11  C   LIG    1        4.917   1.384  -1.038  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        3.736   0.887  -0.482  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1        2.723   1.758  -0.039  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1        2.915   3.142  -0.143  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        4.091   3.646  -0.693  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        5.084   2.771  -1.138  0.00  0.00    +0.023 A 
BRANCH  11  18
ATOM     17  C   LIG    1        6.024  -0.804  -1.536  0.00  0.00    +0.241 C 
ATOM     18  N   LIG    1        5.973   0.575  -1.510  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        6.771   1.075  -1.874  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        5.163  -1.589  -1.164  0.00  0.00    -0.271 OA
BRANCH  17  22
ATOM     21  C   LIG    1        7.551  -2.610  -2.223  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1        7.314  -1.297  -2.105  0.00  0.00    +0.060 C 
ENDBRANCH  17  22
ENDBRANCH  11  18
ENDBRANCH  10  13
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   6  23
ATOM     23  N   LIG    1       -2.868  -0.373   2.245  0.00  0.00    -0.281 N 
ATOM     24  H   LIG    1       -3.496  -0.702   2.968  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.295  -0.197   0.982  0.00  0.00    +0.071 A 
ATOM     26  C   LIG    1       -4.587  -0.397   0.562  0.00  0.00    +0.131 A 
ATOM     27  N   LIG    1       -4.595  -0.121  -0.776  0.00  0.00    -0.267 N 
ATOM     28  N   LIG    1       -3.394   0.264  -1.253  0.00  0.00    -0.178 NA
ATOM     29  C   LIG    1       -2.600   0.204  -0.177  0.00  0.00    +0.157 A 
BRANCH  27  30
ATOM     30  C   LIG    1       -5.740  -0.166  -1.668  0.00  0.00    +0.171 C 
BRANCH  30  31
ATOM     31  C   LIG    1       -6.058  -1.588  -2.117  0.00  0.00    +0.182 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -6.780  -2.316  -1.115  0.00  0.00    -0.381 OA
ATOM     33  C   LIG    1       -8.186  -2.114  -1.182  0.00  0.00    +0.194 C 
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH  27  30
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 10