REMARK  Name = BDB028745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.360  -1.244   0.510  0.00  0.00    -0.304 N 
ATOM      2  C   LIG    1       -0.751   0.116   0.612  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1        0.786   0.106   0.329  0.00  0.00    +0.135 C 
ATOM      4  N   LIG    1        1.491  -1.015   0.962  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        2.798  -0.982   1.441  0.00  0.00    +0.220 C 
ATOM      6  O   LIG    1        3.320  -2.005   1.903  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        0.824  -2.320   0.877  0.00  0.00    +0.127 C 
ATOM      8  C   LIG    1       -0.454  -2.299   0.023  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   1  10
ATOM      9  C   LIG    1       -3.767  -0.906   0.753  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1       -2.658  -1.351  -0.014  0.00  0.00    +0.143 A 
ATOM     11  N   LIG    1       -2.808  -1.851  -1.266  0.00  0.00    -0.237 NA
ATOM     12  C   LIG    1       -4.059  -1.890  -1.781  0.00  0.00    +0.133 A 
ATOM     13  C   LIG    1       -5.190  -1.470  -1.103  0.00  0.00    +0.061 A 
ATOM     14 CL   LIG    1       -6.741  -1.570  -1.830  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1       -5.043  -0.989   0.190  0.00  0.00    +0.047 A 
BRANCH   9  16
ATOM     16  N   LIG    1       -3.649  -0.600   2.125  0.00  0.00    -0.355 N 
ATOM     17  H   LIG    1       -2.682  -0.463   2.401  0.00  0.00    +0.142 HD
ATOM     18  H   LIG    1       -4.295   0.105   2.461  0.00  0.00    +0.142 HD
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   2  19
ATOM     19  C   LIG    1       -1.410   1.209  -0.229  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -1.422   1.149  -1.634  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -2.026   2.158  -2.388  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -2.621   3.239  -1.745  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -3.367   4.482  -2.671  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -2.618   3.320  -0.354  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -2.015   2.310   0.400  0.00  0.00    +0.007 A 
ENDBRANCH   2  19
BRANCH   5  26
ATOM     26  C   LIG    1        3.558   0.368   1.368  0.00  0.00    +0.089 C 
ATOM     27  C   LIG    1        4.106   0.821  -0.026  0.00  0.00    +0.109 C 
ATOM     28  C   LIG    1        5.343   1.375   0.722  0.00  0.00    +0.016 C 
ATOM     29  C   LIG    1        5.035   0.386   1.855  0.00  0.00    +0.014 C 
BRANCH  27  30
ATOM     30  C   LIG    1        4.278  -0.282  -1.101  0.00  0.00    +0.309 C 
ATOM     31  O   LIG    1        3.401  -0.758  -1.814  0.00  0.00    -0.251 OA
BRANCH  30  32
ATOM     32  O   LIG    1        5.546  -0.729  -1.251  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1        5.474  -1.427  -1.935  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  27  30
ENDBRANCH   5  26
TORSDOF 6