REMARK  Name = BDB004743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.077  -0.401   0.061  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        2.387  -0.067  -0.349  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        3.444  -0.541   0.455  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        4.759  -0.204   0.071  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        5.013   0.567  -1.080  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        3.969   1.013  -1.874  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        3.184  -1.295   1.546  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        1.908  -1.581   1.821  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        2.668   0.696  -1.512  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.845  -1.175   1.131  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        5.973  -0.631   0.837  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        7.105  -0.343   0.461  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.802  -1.355   1.979  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.874  -1.631   2.286  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.616  -1.670   2.486  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.019   0.051  -0.700  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1        0.072   1.053  -0.844  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.379  -0.277  -0.230  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.919   0.916   0.555  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -2.530   2.016  -0.069  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -2.980   3.099   0.689  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -3.728   4.436  -0.097  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -2.821   3.113   2.072  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -2.206   2.035   2.705  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -1.756   0.949   1.952  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     26  C   LIG    1       -2.228  -0.686  -1.486  0.00  0.00    +0.110 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -3.910  -2.060  -0.376  0.00  0.00    +0.104 C 
ATOM     28  N   LIG    1       -3.674  -0.927  -1.272  0.00  0.00    -0.306 NA
ATOM     29  C   LIG    1       -4.339  -1.160  -2.556  0.00  0.00    +0.104 C 
ENDBRANCH  26  28
ENDBRANCH  18  26
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6