REMARK  Name = BDB015783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.058  -1.746  -0.875  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -0.176  -0.911  -0.302  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.960  -1.460   0.161  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        1.196  -2.819   0.091  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        0.212  -3.594  -0.487  0.00  0.00    +0.124 A 
ATOM      6  N   LIG    1       -0.916  -3.074  -0.970  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.946  -0.531   0.772  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        1.490   0.565   1.412  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        2.338   1.483   2.016  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        1.747   2.630   2.687  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        3.722   1.341   2.002  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        4.521   2.107   2.531  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        4.236   0.154   1.271  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        3.390  -0.712   0.698  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        0.377  -4.980  -0.585  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        1.196  -5.201  -1.145  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        0.497  -5.391   0.336  0.00  0.00    +0.144 HD
ENDBRANCH   5  15
BRANCH   1  18
ATOM     18  O   LIG    1       -2.266  -1.250  -1.352  0.00  0.00    -0.420 OA
BRANCH  18  21
ATOM     19  C   LIG    1       -4.013   0.200   0.365  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1       -3.204   0.860  -0.714  0.00  0.00    -0.005 A 
ATOM     21  C   LIG    1       -2.335   0.112  -1.523  0.00  0.00    +0.170 A 
ATOM     22  C   LIG    1       -1.603   0.736  -2.537  0.00  0.00    +0.166 A 
ATOM     23  F   LIG    1       -0.808   0.017  -3.342  0.00  0.00    -0.202 F 
ATOM     24  C   LIG    1       -1.693   2.110  -2.733  0.00  0.00    +0.042 A 
ATOM     25  C   LIG    1       -2.532   2.867  -1.918  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -3.284   2.246  -0.916  0.00  0.00    +0.007 A 
ENDBRANCH  18  21
ENDBRANCH   1  18
TORSDOF 4