REMARK  Name = BDB017636
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.470  -0.962   2.840  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -4.747  -0.686   1.887  0.00  0.00    +0.254 A 
ATOM      3  C   LIG    1       -5.177   0.260   0.823  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -6.552   0.859   0.964  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1       -6.774   2.051   0.028  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1       -6.225   1.756  -1.362  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1       -4.820   1.377  -1.258  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1       -4.403   1.151  -2.157  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1       -4.382   0.546  -0.228  0.00  0.00    +0.045 A 
ATOM     10  C   LIG    1       -3.023  -0.045  -0.295  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -2.636  -0.956   0.700  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -1.377  -1.562   0.683  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1       -0.457  -1.251  -0.327  0.00  0.00    -0.031 A 
ATOM     14  C   LIG    1       -0.823  -0.324  -1.310  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -2.089   0.275  -1.290  0.00  0.00    +0.012 A 
ATOM     16  N   LIG    1       -3.513  -1.254   1.747  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -3.236  -1.891   2.480  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  18
ATOM     18  C   LIG    1        0.909  -1.906  -0.348  0.00  0.00    +0.119 C 
BRANCH  18  19
ATOM     19  N   LIG    1        1.696  -1.639   0.865  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        2.023  -0.193   0.987  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        3.321   0.080   1.778  0.00  0.00    +0.122 C 
ATOM     22  N   LIG    1        4.505  -0.530   1.126  0.00  0.00    -0.312 N 
ATOM     23  C   LIG    1        4.196  -1.766   0.365  0.00  0.00    +0.122 C 
ATOM     24  C   LIG    1        2.926  -2.462   0.907  0.00  0.00    +0.103 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.240   0.370   0.324  0.00  0.00    +0.140 A 
ATOM     26  C   LIG    1        6.624   0.194   0.112  0.00  0.00    +0.082 A 
ATOM     27 CL   LIG    1        7.532  -1.073   0.862  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1        7.321   1.088  -0.704  0.00  0.00    +0.045 A 
ATOM     29  C   LIG    1        6.634   2.138  -1.291  0.00  0.00    +0.061 A 
ATOM     30 CL   LIG    1        7.447   3.262  -2.301  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1        5.279   2.258  -1.041  0.00  0.00    +0.133 A 
ATOM     32  N   LIG    1        4.577   1.404  -0.256  0.00  0.00    -0.237 NA
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  13  18
TORSDOF 3