REMARK  Name = BDB003851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.968  -0.427  -0.305  0.00  0.00    -0.230 N 
ATOM      2  C   LIG    1       -2.642   0.437  -1.321  0.00  0.00    +0.232 C 
ATOM      3  O   LIG    1       -3.412   0.801  -2.204  0.00  0.00    -0.274 OA
ATOM      4  C   LIG    1       -1.155   0.843  -1.148  0.00  0.00    +0.087 C 
ATOM      5  C   LIG    1       -0.843   2.357  -1.139  0.00  0.00    +0.126 C 
ATOM      6  N   LIG    1        0.290   2.040  -1.996  0.00  0.00    -0.298 N 
ATOM      7  C   LIG    1        1.575   2.498  -1.867  0.00  0.00    +0.233 C 
ATOM      8  O   LIG    1        1.858   3.464  -1.153  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1       -0.240   0.743  -2.388  0.00  0.00    +0.126 C 
ATOM     10  C   LIG    1       -0.694   0.061   0.083  0.00  0.00    +0.115 C 
ATOM     11  C   LIG    1       -1.937  -0.642   0.577  0.00  0.00    +0.224 C 
ATOM     12  O   LIG    1       -2.000  -1.286   1.613  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1  19
ATOM     13  O   LIG    1       -6.293  -2.335   3.301  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -5.711  -1.948   2.291  0.00  0.00    +0.219 C 
ATOM     15  N   LIG    1       -5.863  -0.661   1.848  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -6.311  -0.068   2.535  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -4.936  -0.028   1.061  0.00  0.00    +0.240 C 
ATOM     18  O   LIG    1       -4.644   1.151   1.253  0.00  0.00    -0.273 OA
ATOM     19  C   LIG    1       -4.341  -0.869  -0.074  0.00  0.00    +0.170 C 
ATOM     20  C   LIG    1       -4.524  -2.378   0.108  0.00  0.00    +0.041 C 
ATOM     21  C   LIG    1       -4.723  -2.816   1.549  0.00  0.00    +0.098 C 
ENDBRANCH   1  19
BRANCH   7  22
ATOM     22  C   LIG    1        2.662   1.748  -2.636  0.00  0.00    +0.200 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.722   1.385  -1.710  0.00  0.00    -0.303 N 
ATOM     24  H   LIG    1        4.228   2.164  -1.302  0.00  0.00    +0.150 HD
ATOM     25  C   LIG    1        3.603   0.234  -0.954  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        2.683  -0.562  -1.106  0.00  0.00    -0.270 OA
BRANCH  25  27
ATOM     27  C   LIG    1        4.624   0.024   0.112  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        5.890   0.626   0.061  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        6.816   0.390   1.081  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        6.486  -0.447   2.148  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.234  -1.057   2.197  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        4.306  -0.827   1.179  0.00  0.00    +0.013 A 
ENDBRANCH  25  27
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 4