REMARK  Name = BDB028410
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.807   1.430   0.005  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        1.204   0.090   0.113  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.227  -0.417  -0.703  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        2.878   0.424  -1.603  0.00  0.00    +0.085 A 
ATOM      5  C   LIG    1        3.981  -0.114  -2.414  0.00  0.00    +0.275 A 
ATOM      6  N   LIG    1        4.290  -1.438  -2.208  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.051  -1.823  -2.761  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        3.656  -2.292  -1.363  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        4.601   0.565  -3.223  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        2.486   1.758  -1.704  0.00  0.00    +0.137 A 
ATOM     11  F   LIG    1        3.083   2.600  -2.558  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        2.669  -1.833  -0.651  0.00  0.00    +0.083 A 
ATOM     13  C   LIG    1        1.456   2.261  -0.912  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -3.547   2.199   2.307  0.00  0.00    +0.173 C 
ATOM     15  N   LIG    1       -2.178   2.282   1.850  0.00  0.00    -0.266 N 
ATOM     16  C   LIG    1       -1.518   1.412   1.005  0.00  0.00    +0.078 A 
ATOM     17  C   LIG    1       -0.253   1.964   0.840  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1       -0.264   3.137   1.626  0.00  0.00    +0.143 A 
ATOM     19  N   LIG    1       -1.422   3.317   2.260  0.00  0.00    -0.179 NA
BRANCH  16  20
ATOM     20  C   LIG    1       -2.131   0.209   0.432  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -2.488   0.120  -0.930  0.00  0.00    +0.079 A 
ATOM     22  C   LIG    1       -3.047  -1.072  -1.414  0.00  0.00    +0.059 A 
ATOM     23 CL   LIG    1       -3.510  -1.267  -3.069  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1       -3.251  -2.161  -0.560  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1       -2.897  -2.072   0.784  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -2.340  -0.894   1.277  0.00  0.00    +0.011 A 
BRANCH  21  27
ATOM     27  C   LIG    1       -2.289   1.237  -1.810  0.00  0.00    +0.101 C 
ATOM     28  N   LIG    1       -2.121   2.145  -2.514  0.00  0.00    -0.191 NA
ENDBRANCH  21  27
ENDBRANCH  16  20
ENDBRANCH   1  17
BRANCH  12  29
ATOM     29  C   LIG    1        1.957  -2.824   0.267  0.00  0.00    +0.136 C 
BRANCH  29  30
ATOM     30  N   LIG    1        2.399  -2.610   1.646  0.00  0.00    -0.325 NA
ATOM     31  H   LIG    1        2.028  -3.359   2.231  0.00  0.00    +0.119 HD
ATOM     32  H   LIG    1        3.415  -2.729   1.676  0.00  0.00    +0.119 HD
ENDBRANCH  29  30
ENDBRANCH  12  29
TORSDOF 5