REMARK  Name = BDB014630
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.480  -3.060  -1.450  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        1.543  -3.546  -0.322  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1        0.434  -3.780   0.460  0.00  0.00    -0.313 N 
ATOM      4  H   LIG    1        0.581  -3.867   1.460  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.871  -3.267   0.072  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.006  -1.776   0.412  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -0.927  -1.619   1.839  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -1.336  -0.744   2.010  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -2.356  -1.212  -0.076  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -2.566   0.171   0.411  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -3.999   0.525   0.303  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -4.298   1.972   0.632  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -3.288   2.949   0.577  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -3.597   4.287   0.853  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -4.906   4.660   1.157  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.913   3.698   1.194  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -1.867   2.543   0.284  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -5.612   2.361   0.931  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -1.771   1.151  -0.354  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        2.842  -3.955   0.346  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.069  -3.563  -0.472  0.00  0.00    +0.083 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.303  -2.089  -0.457  0.00  0.00    +0.109 A 
ATOM     23  N   LIG    1        3.608  -1.233  -1.278  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1        2.875  -1.517  -1.918  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        4.021   0.047  -1.014  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        4.982  -0.104  -0.018  0.00  0.00    +0.092 A 
ATOM     27  C   LIG    1        5.619   1.029   0.500  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1        5.253   2.273  -0.013  0.00  0.00    +0.126 A 
ATOM     29  C   LIG    1        4.285   2.406  -1.008  0.00  0.00    +0.040 A 
ATOM     30  F   LIG    1        5.845   3.375   0.468  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        3.640   1.284  -1.538  0.00  0.00    +0.030 A 
ATOM     32  N   LIG    1        5.145  -1.429   0.310  0.00  0.00    -0.232 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8