REMARK  Name = BDB021992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.261   1.837  -0.361  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -2.502   0.681  -0.037  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1       -1.515  -0.241   0.246  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1       -1.794  -1.207   0.143  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1       -3.746   0.126   0.122  0.00  0.00    -0.268 N 
ATOM      6  H   LIG    1       -3.797  -0.853   0.426  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.103   0.073   0.057  0.00  0.00    +0.077 C 
ATOM      8  C   LIG    1        0.290   0.027  -1.419  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.766   0.398  -1.603  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1        2.621   0.035  -0.460  0.00  0.00    -0.298 NA
ATOM     11  C   LIG    1        2.131  -1.165   0.218  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1        0.777  -0.881   0.878  0.00  0.00    +0.038 C 
BRANCH  10  13
ATOM     13  C   LIG    1        4.026  -0.077  -0.881  0.00  0.00    +0.119 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.004  -0.095   0.276  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1        5.952  -1.122   0.394  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1        6.864  -1.127   1.451  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.842  -0.104   2.397  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.909   0.925   2.289  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.997   0.932   1.232  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   5  20
ATOM     20  C   LIG    1       -5.008   0.679  -0.156  0.00  0.00    +0.061 A 
ATOM     21  C   LIG    1       -6.133  -0.100   0.161  0.00  0.00    +0.081 A 
ATOM     22  C   LIG    1       -7.385   0.423  -0.150  0.00  0.00    +0.138 A 
ATOM     23  N   LIG    1       -7.583   1.627  -0.725  0.00  0.00    -0.261 NA
ATOM     24  C   LIG    1       -6.478   2.351  -1.009  0.00  0.00    +0.112 A 
ATOM     25  C   LIG    1       -5.186   1.927  -0.746  0.00  0.00    +0.045 A 
BRANCH  21  26
ATOM     26  N   LIG    1       -6.048  -1.391   0.900  0.00  0.00    -0.318 NA
ATOM     27  H   LIG    1       -6.898  -1.954   0.702  0.00  0.00    +0.168 HD
ATOM     28  H   LIG    1       -6.114  -1.172   1.916  0.00  0.00    +0.168 HD
ATOM     29  O   LIG    1       -4.911  -2.088   0.597  0.00  0.00    -0.111 OA
ENDBRANCH  21  26
ENDBRANCH   5  20
TORSDOF 5