REMARK  Name = BDB034478
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.165   0.435   0.821  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1       -1.857  -0.076   0.671  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1       -1.232   0.040  -0.594  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1        0.059  -0.495  -0.721  0.00  0.00    +0.188 A 
ATOM      5  C   LIG    1        0.749  -1.078   0.357  0.00  0.00    +0.164 A 
ATOM      6  C   LIG    1        0.116  -1.197   1.585  0.00  0.00    +0.050 A 
ATOM      7  N   LIG    1       -1.813   0.629  -1.656  0.00  0.00    -0.208 NA
ATOM      8  C   LIG    1       -3.033   1.137  -1.440  0.00  0.00    +0.231 A 
ATOM      9  O   LIG    1       -3.745   1.792  -2.400  0.00  0.00    -0.445 OA
ATOM     10  C   LIG    1       -4.917   2.182  -1.835  0.00  0.00    +0.198 A 
ATOM     11  C   LIG    1       -4.978   1.780  -0.521  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1       -1.174  -0.695   1.741  0.00  0.00    +0.017 A 
ATOM     13  C   LIG    1       -3.763   1.093  -0.261  0.00  0.00    +0.082 A 
ENDROOT
BRANCH   1  15
ATOM     14  C   LIG    1       -4.774  -0.685   2.030  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -3.799   0.359   2.046  0.00  0.00    -0.494 OA
ENDBRANCH   1  15
BRANCH   4  16
ATOM     16  O   LIG    1        0.742  -0.373  -1.919  0.00  0.00    -0.489 OA
ATOM     17  C   LIG    1        0.357  -1.423  -2.807  0.00  0.00    +0.277 C 
ENDBRANCH   4  16
BRANCH   5  18
ATOM     18  O   LIG    1        2.007  -1.564   0.109  0.00  0.00    -0.486 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.997  -1.288   1.103  0.00  0.00    +0.263 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.402   0.189   1.165  0.00  0.00    +0.180 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.815   0.801  -0.188  0.00  0.00    +0.143 C 
ATOM     22  C   LIG    1        4.959   0.072  -0.881  0.00  0.00    +0.040 C 
BRANCH  21  23
ATOM     23  O   LIG    1        4.253   2.147   0.079  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        4.354   2.583  -0.786  0.00  0.00    +0.210 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  O   LIG    1        4.478   0.343   2.105  0.00  0.00    -0.386 OA
ATOM     26  H   LIG    1        4.804   1.254   1.946  0.00  0.00    +0.210 HD
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 8