REMARK  Name = BDB014144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.629   0.498  -0.306  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -1.999   1.791  -0.497  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1       -3.292   2.101  -0.276  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1       -4.250   1.183   0.120  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -3.861  -0.144   0.300  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.523  -0.487   0.094  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -4.798  -1.167   0.715  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1       -6.090  -1.362   0.281  0.00  0.00    +0.166 A 
ATOM      9  N   LIG    1       -6.502  -2.466   0.967  0.00  0.00    -0.253 N 
ATOM     10  H   LIG    1       -7.392  -2.954   0.934  0.00  0.00    +0.191 HD
ATOM     11  N   LIG    1       -5.538  -2.936   1.768  0.00  0.00    -0.067 NA
ATOM     12  N   LIG    1       -4.479  -2.152   1.614  0.00  0.00    -0.129 NA
BRANCH   8  13
ATOM     13  C   LIG    1       -6.965  -0.701  -0.677  0.00  0.00    +0.436 C 
ATOM     14  F   LIG    1       -8.067  -1.451  -0.938  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1       -6.358  -0.468  -1.864  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1       -7.412   0.491  -0.213  0.00  0.00    -0.164 F 
ENDBRANCH   8  13
ENDBRANCH   5   7
BRANCH   1  19
ATOM     17  N   LIG    1        1.898   0.322  -1.010  0.00  0.00    -0.332 N 
ATOM     18  C   LIG    1        0.755   1.065  -0.908  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1       -0.230   0.169  -0.543  0.00  0.00    +0.107 A 
ATOM     20  N   LIG    1        0.300  -1.103  -0.440  0.00  0.00    -0.234 NA
ATOM     21  C   LIG    1        1.577  -0.975  -0.724  0.00  0.00    +0.200 A 
BRANCH  17  22
ATOM     22  C   LIG    1        3.207   0.811  -1.410  0.00  0.00    +0.158 C 
BRANCH  22  25
ATOM     23  C   LIG    1        5.606  -1.044  -1.404  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        5.318  -0.101  -0.267  0.00  0.00    -0.043 A 
ATOM     25  C   LIG    1        4.201   0.766  -0.269  0.00  0.00    -0.025 A 
ATOM     26  C   LIG    1        4.002   1.629   0.830  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        4.885   1.634   1.909  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1        5.975   0.779   1.897  0.00  0.00    +0.124 A 
ATOM     29  F   LIG    1        6.828   0.782   2.930  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        6.199  -0.080   0.828  0.00  0.00    +0.042 A 
ENDBRANCH  22  25
ENDBRANCH  17  22
ENDBRANCH   1  19
TORSDOF 5