REMARK  Name = BDB021863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.001  -0.329  -0.073  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.909   0.749  -0.096  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.213   0.386  -0.362  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1       -3.472  -0.576  -0.209  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.544   1.904   0.111  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.185   0.195   0.545  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1        2.599   0.913  -0.600  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.192   0.440  -0.986  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.406   0.001   0.253  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        1.155  -1.109   1.017  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        2.648  -1.158   0.677  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        4.656   0.194   0.517  0.00  0.00    +0.084 C 
BRANCH  12  13
ATOM     13  C   LIG    1        5.248   1.607   0.623  0.00  0.00    +0.015 C 
BRANCH  13  15
ATOM     14  C   LIG    1        7.510   1.069  -0.431  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1        6.771   1.610   0.784  0.00  0.00    -0.002 C 
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -4.267   1.261  -0.555  0.00  0.00    +0.072 A 
ATOM     17  C   LIG    1       -4.243   2.627  -0.694  0.00  0.00    +0.131 A 
ATOM     18  N   LIG    1       -5.538   3.018  -0.864  0.00  0.00    -0.273 N 
ATOM     19  C   LIG    1       -6.020   4.367  -1.037  0.00  0.00    +0.172 C 
ATOM     20  N   LIG    1       -6.414   1.994  -0.864  0.00  0.00    -0.178 NA
ATOM     21  C   LIG    1       -5.635   0.926  -0.670  0.00  0.00    +0.157 A 
ENDBRANCH   3  16
BRANCH   1  22
ATOM     22  C   LIG    1       -1.263  -1.560  -0.831  0.00  0.00    +0.144 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.131  -2.573  -0.114  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -2.854  -3.508  -0.872  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -3.661  -4.461  -0.249  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.749  -4.499   1.140  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -3.027  -3.587   1.907  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -2.219  -2.634   1.285  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7