REMARK  Name = BDB064044
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.755  -0.111   0.495  0.00  0.00    -0.287 N 
ATOM      2  C   LIG    1       -1.667   0.477   1.755  0.00  0.00    +0.262 A 
ATOM      3  O   LIG    1       -0.624   0.913   2.239  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -2.913   0.558   2.535  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1       -4.080   0.069   1.952  0.00  0.00    +0.096 A 
ATOM      6  C   LIG    1       -5.265   0.134   2.703  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -5.273   0.674   3.995  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1       -4.095   1.162   4.557  0.00  0.00    +0.002 A 
ATOM      9 CL   LIG    1       -6.762  -0.456   2.067  0.00  0.00    -0.081 Cl
ATOM     10  N   LIG    1       -4.077  -0.462   0.652  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1       -2.910   1.104   3.827  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -2.970  -0.509  -0.018  0.00  0.00    +0.114 A 
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -0.503  -0.165  -0.263  0.00  0.00    +0.222 C 
BRANCH  13  15
ATOM     14  N   LIG    1        0.951   1.353  -1.624  0.00  0.00    -0.299 N 
ATOM     15  C   LIG    1       -0.304   1.129  -1.068  0.00  0.00    +0.236 C 
ATOM     16  O   LIG    1       -1.239   1.918  -1.237  0.00  0.00    -0.274 OA
ATOM     17  C   LIG    1        1.194   2.588  -2.354  0.00  0.00    +0.132 C 
BRANCH  14  18
ATOM     18  C   LIG    1        2.063   0.397  -1.577  0.00  0.00    +0.146 C 
BRANCH  18  20
ATOM     19  C   LIG    1        4.355   0.043  -0.572  0.00  0.00    +0.125 A 
ATOM     20  C   LIG    1        3.087   0.657  -0.487  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        2.793   1.447   0.638  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        3.740   1.645   1.643  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.992   1.050   1.542  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        5.299   0.250   0.441  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1        5.840  -1.352  -1.818  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        4.561  -0.745  -1.676  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  18  20
ENDBRANCH  14  18
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH  12  27
ATOM     27  C   LIG    1       -3.059  -1.086  -1.421  0.00  0.00    +0.085 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.867  -2.599  -1.385  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.998  -3.069  -2.515  0.00  0.00    +0.305 C 
ATOM     30  O   LIG    1       -0.956  -2.557  -2.889  0.00  0.00    -0.251 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -2.461  -4.191  -3.095  0.00  0.00    -0.481 OA
ATOM     32  H   LIG    1       -1.809  -4.397  -3.797  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  12  27
TORSDOF 9