REMARK  Name = BDB021148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.465   2.135   1.164  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        1.665   1.440   1.270  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        2.196   0.343   0.458  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1        3.407  -0.003   0.993  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1        3.754   0.833   2.017  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        4.789   0.879   2.654  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1        1.635  -0.123  -0.518  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        2.628   1.742   2.219  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        2.460   2.753   3.140  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.258   3.458   3.087  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        0.273   3.144   2.122  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        4.302  -0.958   0.357  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        5.322  -0.202  -0.501  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        5.141   0.932  -0.940  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        6.463  -0.902  -0.825  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        7.133  -0.411  -1.402  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        6.867  -2.124  -0.346  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        7.947  -2.606  -0.672  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        5.890  -2.859   0.543  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        5.020  -1.890   1.330  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1       -0.517   1.740   0.250  0.00  0.00    -0.342 N 
ATOM     22  H   LIG    1       -0.107   1.158  -0.492  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -1.441   2.752  -0.279  0.00  0.00    +0.120 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.350   2.125  -1.345  0.00  0.00    +0.126 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -4.104   0.410  -1.497  0.00  0.00    +0.401 C 
ATOM     26  N   LIG    1       -3.070   0.982  -0.825  0.00  0.00    -0.280 N 
ATOM     27  H   LIG    1       -2.611   0.399  -0.136  0.00  0.00    +0.152 HD
ATOM     28  O   LIG    1       -4.634   0.882  -2.489  0.00  0.00    -0.226 OA
BRANCH  25  29
ATOM     29  O   LIG    1       -4.425  -0.755  -0.892  0.00  0.00    -0.445 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -5.546  -2.792  -0.456  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -5.498  -1.585  -1.405  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1       -5.186  -2.087  -2.819  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -6.846  -0.857  -1.340  0.00  0.00    +0.055 C 
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 7