REMARK  Name = BDB015722
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.588  -0.900  -0.792  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1       -2.205   0.282  -0.973  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.420   1.365  -0.959  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.086   1.362  -0.801  0.00  0.00    -0.180 NA
ATOM      5  C   LIG    1        0.501   0.179  -0.588  0.00  0.00    +0.126 A 
ATOM      6  C   LIG    1       -0.225  -0.996  -0.587  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -2.464  -5.785  -1.969  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1       -2.840  -4.464  -1.377  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -4.201  -4.368  -0.755  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1       -4.930  -5.356  -0.721  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -4.547  -3.117  -0.250  0.00  0.00    -0.317 N 
ATOM     12  C   LIG    1       -5.859  -2.932   0.352  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -3.684  -2.033  -0.284  0.00  0.00    +0.098 A 
ATOM     14  C   LIG    1       -2.447  -2.112  -0.810  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -2.041  -3.384  -1.388  0.00  0.00    +0.020 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  N   LIG    1        1.896   0.095  -0.418  0.00  0.00    -0.329 N 
ATOM     17  H   LIG    1        2.096  -0.465   0.410  0.00  0.00    +0.147 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.577   1.392  -0.342  0.00  0.00    +0.107 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.091   1.198  -0.174  0.00  0.00    +0.054 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.471   0.555   1.141  0.00  0.00    -0.046 A 
ATOM     21  C   LIG    1        4.889  -0.782   1.182  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        5.221  -1.383   2.397  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        5.138  -0.653   3.582  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        4.726   0.677   3.552  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.394   1.280   2.338  0.00  0.00    +0.004 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   3  26
ATOM     26  O   LIG    1       -2.077   2.566  -1.196  0.00  0.00    -0.421 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -1.403   3.703  -0.825  0.00  0.00    +0.167 A 
ATOM     28  C   LIG    1       -1.133   3.990   0.516  0.00  0.00    +0.168 A 
ATOM     29  F   LIG    1       -1.516   3.142   1.482  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -0.475   5.161   0.871  0.00  0.00    +0.080 A 
ATOM     31  C   LIG    1       -0.103   6.050  -0.130  0.00  0.00    +0.126 A 
ATOM     32  F   LIG    1        0.533   7.181   0.200  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -0.385   5.791  -1.470  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -1.047   4.613  -1.822  0.00  0.00    +0.052 A 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 7