REMARK  Name = BDB050338
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.665  -1.630  -0.132  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.497  -0.503  -0.200  0.00  0.00    +0.055 A 
ATOM      3  C   LIG    1       -2.876  -0.633   0.050  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -3.384  -1.891   0.359  0.00  0.00    +0.047 A 
ATOM      5  N   LIG    1       -4.738  -1.742   0.546  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -5.369  -2.501   0.758  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -5.120  -0.427   0.387  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -2.578  -3.032   0.430  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -3.971   0.273   0.066  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1       -1.207  -2.877   0.179  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -6.499   0.020   0.562  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -7.181   0.828  -0.341  0.00  0.00    +0.050 A 
ATOM     13  C   LIG    1       -6.779   1.394  -1.647  0.00  0.00    +0.245 C 
ATOM     14  N   LIG    1       -7.853   2.122  -2.118  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -7.806   2.589  -3.014  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -8.990   2.090  -1.243  0.00  0.00    +0.140 C 
ATOM     17  O   LIG    1       -5.726   1.264  -2.235  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1       -8.505   1.240  -0.117  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -9.192   0.858   1.022  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -8.531   0.050   1.946  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -7.204  -0.362   1.719  0.00  0.00    +0.011 A 
ENDBRANCH   7  11
BRANCH   1  22
ATOM     22  O   LIG    1        0.654  -1.371  -0.393  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1        1.561  -2.471  -0.335  0.00  0.00    +0.230 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.969  -1.968  -0.650  0.00  0.00    +0.056 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.450  -0.942   0.384  0.00  0.00    +0.088 C 
BRANCH  25  29
ATOM     26  N   LIG    1        7.050   1.433   0.012  0.00  0.00    -0.300 NA
ATOM     27  C   LIG    1        6.810   0.640   1.236  0.00  0.00    +0.100 C 
ATOM     28  C   LIG    1        5.336   0.200   1.375  0.00  0.00    +0.100 C 
ATOM     29  N   LIG    1        4.872  -0.592   0.215  0.00  0.00    -0.300 NA
ATOM     30  C   LIG    1        5.106   0.198  -1.013  0.00  0.00    +0.100 C 
ATOM     31  C   LIG    1        6.579   0.657  -1.154  0.00  0.00    +0.100 C 
BRANCH  26  33
ATOM     32  C   LIG    1        8.758   2.794  -1.197  0.00  0.00    +0.020 C 
ATOM     33  C   LIG    1        8.474   1.784  -0.091  0.00  0.00    +0.081 C 
ENDBRANCH  26  33
ENDBRANCH  25  29
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7