REMARK  Name = BDB021267
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.947  -2.984   0.317  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        3.022  -2.127   0.276  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        2.506  -0.939   0.028  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1        1.130  -0.996  -0.070  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1        0.341   0.137  -0.336  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        0.906   1.294  -0.551  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        2.281   1.362  -0.455  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        3.108   0.336  -0.160  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        0.767  -2.312   0.094  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        4.561   0.578  -0.099  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        5.196   1.327   0.899  0.00  0.00    +0.052 A 
ATOM     12 CL   LIG    1        4.318   2.039   2.209  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1        6.577   1.512   0.875  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1        7.294   0.934  -0.154  0.00  0.00    +0.112 A 
ATOM     15  N   LIG    1        6.729   0.198  -1.132  0.00  0.00    -0.263 NA
ATOM     16  C   LIG    1        5.386   0.027  -1.075  0.00  0.00    +0.120 A 
ENDBRANCH   8  10
BRANCH   1  18
ATOM     17  N   LIG    1        2.213  -5.527   0.745  0.00  0.00    -0.189 NA
ATOM     18  C   LIG    1        2.112  -4.386   0.553  0.00  0.00    +0.121 C 
ENDBRANCH   1  18
BRANCH   5  19
ATOM     19  N   LIG    1       -1.030   0.032  -0.402  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.381   0.874  -0.855  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.782  -0.166   0.833  0.00  0.00    +0.143 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.227  -0.392   0.506  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.128   0.651   0.314  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -3.944   2.117   0.450  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.247   2.593  -0.193  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.222   1.528  -0.122  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.460   0.397   0.012  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -5.957  -0.884  -0.117  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.068  -1.945   0.053  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -3.724  -1.694   0.356  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -2.899  -2.739   0.518  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   5  19
TORSDOF 5