REMARK  Name = BDB015745
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.369  -1.808  -1.040  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        0.546  -0.938  -0.433  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.666  -1.402  -0.078  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.042  -2.711  -0.301  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -0.107  -3.528  -0.896  0.00  0.00    +0.124 A 
ATOM      6  N   LIG    1        1.100  -3.101  -1.269  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.591  -0.426   0.556  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.535   0.861   0.163  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.361   1.838   0.696  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.228   3.196   0.194  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.310   1.563   1.677  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -4.070   2.399   2.160  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.367   0.141   2.148  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.352  -0.170   3.229  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -2.544  -0.769   1.601  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -0.411  -4.859  -1.176  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1        0.419  -5.284  -1.585  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1       -0.726  -5.366  -0.357  0.00  0.00    +0.144 HD
ENDBRANCH   5  16
BRANCH   1  19
ATOM     19  O   LIG    1        2.645  -1.401  -1.409  0.00  0.00    -0.420 OA
BRANCH  19  22
ATOM     20  C   LIG    1        4.412  -0.185   0.464  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1        3.724   0.589  -0.623  0.00  0.00    -0.005 A 
ATOM     22  C   LIG    1        2.839  -0.043  -1.509  0.00  0.00    +0.170 A 
ATOM     23  C   LIG    1        2.219   0.688  -2.526  0.00  0.00    +0.166 A 
ATOM     24  F   LIG    1        1.406   0.080  -3.401  0.00  0.00    -0.202 F 
ATOM     25  C   LIG    1        2.437   2.056  -2.651  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1        3.294   2.699  -1.760  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        3.934   1.970  -0.753  0.00  0.00    +0.007 A 
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 4