REMARK  Name = BDB064519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.954  -0.974  -2.683  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -3.712  -0.767  -2.091  0.00  0.00    -0.163 N 
ATOM      3  C   LIG    1       -2.435  -0.838  -2.681  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1       -2.394  -1.118  -3.884  0.00  0.00    -0.265 OA
ATOM      5  N   LIG    1       -3.884  -0.459  -0.783  0.00  0.00    -0.139 NA
ATOM      6  C   LIG    1       -5.215  -0.540  -0.624  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -5.895  -0.864  -1.780  0.00  0.00    -0.192 NA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -1.136  -0.605  -1.987  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1       -0.050  -0.168  -2.752  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        1.201   0.052  -2.159  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        1.422  -0.157  -0.790  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1        0.322  -0.611  -0.047  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -0.936  -0.839  -0.628  0.00  0.00    +0.015 A 
BRANCH  11  14
ATOM     14  N   LIG    1        2.659   0.064  -0.204  0.00  0.00    -0.330 N 
ATOM     15  C   LIG    1        2.773   0.349   1.232  0.00  0.00    +0.110 C 
ATOM     16  C   LIG    1        3.967   1.257   1.492  0.00  0.00    +0.084 C 
ATOM     17  C   LIG    1        5.265   0.595   1.031  0.00  0.00    +0.173 C 
ATOM     18  O   LIG    1        6.185   1.639   0.648  0.00  0.00    -0.346 OA
ATOM     19  C   LIG    1        7.406   1.321   1.315  0.00  0.00    +0.191 C 
ATOM     20  C   LIG    1        6.945   0.636   2.569  0.00  0.00    +0.191 C 
ATOM     21  O   LIG    1        5.840  -0.150   2.125  0.00  0.00    -0.346 OA
ATOM     22  C   LIG    1        5.070  -0.365  -0.143  0.00  0.00    +0.084 C 
ATOM     23  C   LIG    1        3.890   0.066  -1.003  0.00  0.00    +0.110 C 
ENDBRANCH  11  14
ENDBRANCH   3   8
BRANCH   6  24
ATOM     24  C   LIG    1       -5.913  -0.316   0.651  0.00  0.00    +0.110 A 
ATOM     25  N   LIG    1       -5.149  -0.095   1.755  0.00  0.00    -0.252 NA
ATOM     26  C   LIG    1       -5.792   0.111   2.924  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1       -7.170   0.105   3.058  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -7.939  -0.125   1.924  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -7.306  -0.339   0.702  0.00  0.00    +0.031 A 
ENDBRANCH   6  24
BRANCH   1  30
ATOM     30  N   LIG    1       -5.136  -1.247  -3.989  0.00  0.00    -0.327 N 
ATOM     31  H   LIG    1       -4.331  -1.512  -4.560  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1       -6.020  -1.652  -4.278  0.00  0.00    +0.145 HD
ENDBRANCH   1  30
TORSDOF 4