REMARK  Name = BDB011629
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.535  -0.048  -2.070  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -1.060   0.727  -1.046  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -0.434   1.412  -0.647  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -1.193  -0.570  -2.962  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.385   0.807  -0.722  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -3.412  -0.265  -0.916  0.00  0.00    +0.289 A 
ATOM      7  O   LIG    1       -3.175  -1.429  -1.195  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -4.651   0.288  -0.546  0.00  0.00    -0.245 N 
ATOM      9  N   LIG    1       -4.387   1.539   0.099  0.00  0.00    -0.287 N 
ATOM     10  C   LIG    1       -5.398   2.580  -0.089  0.00  0.00    +0.170 C 
ATOM     11  C   LIG    1       -3.024   1.802  -0.082  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -2.429   3.092   0.386  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.715  -0.588  -0.049  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1       -5.826  -0.605   1.482  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1       -6.845  -1.637   1.970  0.00  0.00    +0.002 C 
ATOM     16  C   LIG    1       -8.039  -1.817   1.030  0.00  0.00    +0.000 C 
ATOM     17  C   LIG    1       -8.272  -0.595   0.152  0.00  0.00    +0.002 C 
ATOM     18  C   LIG    1       -7.063  -0.306  -0.739  0.00  0.00    +0.027 C 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  24
ATOM     19  C   LIG    1        1.372  -0.844   0.409  0.00  0.00    +0.050 C 
ATOM     20  C   LIG    1        1.793  -0.398  -0.944  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        3.086  -0.243  -1.441  0.00  0.00    +0.167 A 
ATOM     22  O   LIG    1        2.963   0.089  -2.769  0.00  0.00    -0.354 OA
ATOM     23  N   LIG    1        1.646   0.197  -3.136  0.00  0.00    -0.073 NA
ATOM     24  C   LIG    1        0.931  -0.090  -2.044  0.00  0.00    +0.171 A 
BRANCH  21  25
ATOM     25  C   LIG    1        4.380  -0.411  -0.837  0.00  0.00    -0.006 C 
ATOM     26  C   LIG    1        5.524  -1.056  -1.600  0.00  0.00    +0.039 C 
ATOM     27  C   LIG    1        6.750  -1.398  -0.747  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        7.093  -0.287   0.267  0.00  0.00    -0.000 C 
ATOM     29  C   LIG    1        7.598   0.982  -0.424  0.00  0.00    +0.167 C 
ATOM     30  O   LIG    1        8.995   0.775  -0.693  0.00  0.00    -0.379 OA
ATOM     31  C   LIG    1        9.475  -0.269   0.164  0.00  0.00    +0.160 C 
ATOM     32  C   LIG    1        8.330  -0.653   1.081  0.00  0.00    +0.037 C 
ATOM     33  C   LIG    1        5.872  -0.031   1.162  0.00  0.00    +0.036 C 
ATOM     34  C   LIG    1        4.570   0.051   0.416  0.00  0.00    -0.019 C 
ENDBRANCH  21  25
ENDBRANCH   1  24
TORSDOF 4