REMARK  Name = BDB046301
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.245  -0.043   0.182  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -3.461   0.402  -0.208  0.00  0.00    -0.230 NA
ATOM      3  C   LIG    1       -4.562  -0.294   0.172  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1       -4.483  -1.445   0.951  0.00  0.00    +0.068 A 
ATOM      5  N   LIG    1       -5.643  -2.133   1.321  0.00  0.00    -0.320 N 
ATOM      6  H   LIG    1       -5.590  -2.970   1.888  0.00  0.00    +0.169 HD
ATOM      7  C   LIG    1       -6.911  -1.738   0.955  0.00  0.00    +0.257 A 
ATOM      8  C   LIG    1       -7.034  -0.510   0.120  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -8.307  -0.077  -0.273  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -8.441   1.069  -1.054  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -7.307   1.780  -1.442  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -6.037   1.347  -1.049  0.00  0.00    +0.011 A 
ATOM     13  O   LIG    1       -7.896  -2.378   1.306  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -3.235  -1.892   1.354  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.876   0.195  -0.262  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1       -2.098  -1.178   0.965  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        0.141   0.779  -0.234  0.00  0.00    +0.232 C 
ATOM     18  N   LIG    1       -1.221   0.776  -0.284  0.00  0.00    -0.269 N 
ATOM     19  H   LIG    1       -1.585   1.574  -0.792  0.00  0.00    +0.156 HD
ATOM     20  O   LIG    1        0.708   1.745  -0.757  0.00  0.00    -0.274 OA
BRANCH  17  21
ATOM     21  C   LIG    1        0.900  -0.369   0.438  0.00  0.00    +0.181 C 
BRANCH  21  25
ATOM     22  N   LIG    1        5.181   0.074  -0.013  0.00  0.00    -0.297 NA
ATOM     23  C   LIG    1        4.416  -0.599  -1.093  0.00  0.00    +0.100 C 
ATOM     24  C   LIG    1        2.872  -0.430  -1.051  0.00  0.00    +0.100 C 
ATOM     25  N   LIG    1        2.366  -0.335   0.317  0.00  0.00    -0.292 NA
ATOM     26  C   LIG    1        3.005   0.761   1.060  0.00  0.00    +0.100 C 
ATOM     27  C   LIG    1        4.395   1.200   0.519  0.00  0.00    +0.100 C 
BRANCH  22  29
ATOM     28  C   LIG    1        7.339  -0.810  -0.885  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1        6.552   0.434  -0.435  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        7.358   1.113   0.684  0.00  0.00    +0.024 C 
ENDBRANCH  22  29
ENDBRANCH  21  25
ENDBRANCH  17  21
ENDBRANCH   1  18
TORSDOF 4