REMARK  Name = BDB007550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.510  -1.097  -1.944  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -1.318  -2.116  -1.289  0.00  0.00    +0.263 C 
ATOM      3  N   LIG    1       -0.120  -2.810  -1.343  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1        0.066  -3.518  -0.645  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.353  -2.657  -0.350  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1       -3.058  -1.730   0.344  0.00  0.00    -0.228 NA
ATOM      7  C   LIG    1       -4.000  -2.159   1.200  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1       -4.257  -3.518   1.374  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1       -3.524  -4.462   0.656  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -2.548  -4.026  -0.228  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -4.790  -1.245   1.919  0.00  0.00    -0.326 N 
ATOM     12  H   LIG    1       -4.752  -1.504   2.901  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -4.488   0.183   1.715  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1       -5.171   0.984   2.827  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1       -4.922   2.478   2.652  0.00  0.00    +0.161 C 
ATOM     16  O   LIG    1       -4.735   2.871   1.294  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1       -5.507   2.095   0.385  0.00  0.00    +0.161 C 
ATOM     18  C   LIG    1       -4.989   0.663   0.343  0.00  0.00    +0.050 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  19
ATOM     19  C   LIG    1        0.984  -2.387  -2.199  0.00  0.00    +0.137 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.634  -1.057  -1.749  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        0.890   0.046  -2.276  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -0.066  -0.152  -2.147  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        3.096  -0.986  -2.266  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.977   0.097  -1.790  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        4.252   0.022  -0.347  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        5.152   1.137   0.145  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        5.278   2.334  -0.584  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        6.089   3.366  -0.094  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        6.752   3.222   1.125  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.614   2.047   1.859  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        4.592   2.476  -1.921  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        5.816   1.010   1.374  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        3.481   1.437  -2.131  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 8