REMARK  Name = BDB037047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.043  -0.546  -0.064  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        0.569   0.697  -0.373  0.00  0.00    +0.249 C 
ATOM      3  O   LIG    1        0.003   1.676  -0.812  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        1.986   0.647  -0.029  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1        2.259  -0.584   0.553  0.00  0.00    -0.014 A 
ATOM      6  C   LIG    1        3.542  -0.870   0.976  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        4.489   0.130   0.777  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1        4.242   1.342   0.210  0.00  0.00    -0.243 NA
ATOM      9 CL   LIG    1        6.119  -0.110   1.258  0.00  0.00    -0.062 Cl
ATOM     10  C   LIG    1        2.971   1.588  -0.186  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1        1.011  -1.394   0.623  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -4.362   1.951  -0.727  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -3.473   1.116  -0.575  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -3.135   0.684   0.680  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -3.603   1.162   1.437  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -2.109  -0.149   1.042  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -1.780  -0.262   2.224  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -1.377  -0.889  -0.079  0.00  0.00    +0.163 C 
ATOM     19  C   LIG    1       -2.068  -0.792  -1.437  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -2.690   0.561  -1.736  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
TORSDOF 1