REMARK  Name = BDB048794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.415  -1.863   1.417  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.991  -1.983   0.005  0.00  0.00    +0.100 C 
BRANCH   2   4
ATOM      3  C   LIG    1        2.373   0.153  -0.525  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1        2.226  -1.175  -0.180  0.00  0.00    +0.086 A 
ATOM      5  N   LIG    1        3.469  -1.747  -0.017  0.00  0.00    -0.214 NA
ATOM      6  C   LIG    1        4.316  -0.765  -0.265  0.00  0.00    +0.228 A 
ATOM      7  O   LIG    1        3.712   0.422  -0.587  0.00  0.00    -0.440 OA
BRANCH   6   8
ATOM      8  C   LIG    1        5.777  -0.778  -0.244  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        6.455  -1.966   0.069  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        7.851  -2.009   0.098  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        8.588  -0.863  -0.188  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        7.932   0.326  -0.500  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.535   0.368  -0.528  0.00  0.00    +0.013 A 
ENDBRANCH   6   8
BRANCH   3  15
ATOM     14  C   LIG    1        1.450   2.318   0.272  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1        1.447   1.267  -0.827  0.00  0.00    +0.073 C 
ENDBRANCH   3  15
ENDBRANCH   2   4
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  O   LIG    1       -0.207  -0.593   1.632  0.00  0.00    -0.492 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.509  -0.415   1.252  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -2.034   0.838   1.582  0.00  0.00    +0.049 A 
ATOM     19  C   LIG    1       -3.340   1.138   1.228  0.00  0.00    -0.040 A 
ATOM     20  C   LIG    1       -4.102   2.386   1.538  0.00  0.00    +0.036 C 
ATOM     21  C   LIG    1       -5.256   2.275   0.536  0.00  0.00    +0.013 C 
ATOM     22  C   LIG    1       -5.525   0.764   0.332  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1       -4.140   0.210   0.553  0.00  0.00    -0.040 A 
ATOM     24  C   LIG    1       -3.638  -1.043   0.240  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -2.314  -1.349   0.585  0.00  0.00    +0.046 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -6.130   0.505  -1.049  0.00  0.00    +0.128 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -6.755  -0.864  -1.171  0.00  0.00    +0.305 C 
ATOM     28  O   LIG    1       -7.017  -1.610  -0.242  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -7.035  -1.190  -2.455  0.00  0.00    -0.481 OA
ATOM     30  H   LIG    1       -6.790  -0.502  -3.103  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  22  26
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9