REMARK  Name = BDB049627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.170  -1.342  -0.888  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.112  -0.329  -0.690  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -1.586   0.899  -0.384  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -0.637   0.894  -0.068  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -3.317  -0.550  -0.786  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -2.262   2.130  -0.248  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -3.596   2.334  -0.610  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -4.204   3.591  -0.451  0.00  0.00    -0.049 A 
ATOM      9  C   LIG    1       -5.629   3.796  -0.872  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -3.450   4.658   0.048  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -2.117   4.467   0.404  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -1.527   3.211   0.256  0.00  0.00    +0.023 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     13  N   LIG    1        2.499   0.672  -0.333  0.00  0.00    -0.302 NA
ATOM     14  C   LIG    1        1.704   0.195   0.798  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1        0.921  -1.087   0.530  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        0.316  -1.229  -0.879  0.00  0.00    +0.080 C 
ATOM     17  C   LIG    1        0.878  -0.310  -1.980  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        1.636   0.919  -1.489  0.00  0.00    +0.086 C 
BRANCH  13  19
ATOM     19  C   LIG    1        3.653  -0.173  -0.665  0.00  0.00    +0.084 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.772  -0.203   0.390  0.00  0.00    +0.015 C 
BRANCH  20  22
ATOM     21  C   LIG    1        4.761   2.172   1.370  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1        5.524   1.119   0.583  0.00  0.00    -0.002 C 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  13  19
ENDBRANCH   1  16
BRANCH   1  23
ATOM     23  C   LIG    1       -1.710  -2.693  -1.101  0.00  0.00    +0.144 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.554  -3.570   0.121  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -2.330  -3.330   1.264  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -2.182  -4.124   2.402  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -1.257  -5.166   2.409  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -0.481  -5.416   1.278  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -0.628  -4.623   0.139  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 7