REMARK  Name = BDB019538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.347  -3.470   0.889  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.450  -2.251   0.975  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1       -1.016  -1.668   2.079  0.00  0.00    -0.307 N 
ATOM      4  H   LIG    1       -1.327  -2.344   2.765  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.009  -1.406  -0.150  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        1.046  -0.499   0.005  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        1.456   0.300  -1.075  0.00  0.00    -0.026 A 
ATOM      8  C   LIG    1        0.766   0.179  -2.295  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -0.275  -0.743  -2.439  0.00  0.00    +0.042 A 
ATOM     10 CL   LIG    1       -1.096  -0.868  -3.946  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -0.660  -1.549  -1.376  0.00  0.00    +0.033 A 
BRANCH   7  12
ATOM     12  C   LIG    1        2.560   1.327  -0.954  0.00  0.00    +0.158 C 
BRANCH  12  13
ATOM     13  N   LIG    1        3.673   0.882  -0.132  0.00  0.00    -0.332 N 
ATOM     14  C   LIG    1        4.026   1.404   1.079  0.00  0.00    +0.199 A 
ATOM     15  N   LIG    1        5.081   0.796   1.573  0.00  0.00    -0.244 NA
ATOM     16  C   LIG    1        5.434  -0.138   0.633  0.00  0.00    +0.130 A 
ATOM     17  C   LIG    1        4.578  -0.095  -0.443  0.00  0.00    +0.107 A 
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1       -1.374  -0.278   2.285  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.466   0.184   1.355  0.00  0.00    -0.028 A 
ATOM     20  C   LIG    1       -3.700  -0.482   1.302  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -4.691  -0.062   0.413  0.00  0.00    +0.043 A 
ATOM     22 CL   LIG    1       -6.193  -0.899   0.358  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1       -4.475   1.023  -0.432  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1       -3.257   1.693  -0.377  0.00  0.00    +0.043 A 
ATOM     25 CL   LIG    1       -2.964   3.028  -1.421  0.00  0.00    -0.083 Cl
ATOM     26  C   LIG    1       -2.261   1.288   0.513  0.00  0.00    +0.025 A 
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 5