REMARK  Name = BDB007526
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.412  -0.487   2.917  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.695  -1.225   2.250  0.00  0.00    +0.244 C 
ATOM      3  N   LIG    1        0.634  -1.459   2.535  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        1.223  -1.766   1.766  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.231  -1.875   1.020  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -2.346  -1.290   0.398  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1       -2.876  -1.846  -0.764  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -2.283  -2.991  -1.303  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -1.185  -3.589  -0.683  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -0.659  -3.035   0.482  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1       -3.943  -1.375  -1.476  0.00  0.00    -0.489 OA
BRANCH  11  12
ATOM     12  C   LIG    1       -4.729  -0.309  -0.933  0.00  0.00    +0.178 C 
ATOM     13  C   LIG    1       -4.156   1.047  -1.350  0.00  0.00    +0.072 C 
ATOM     14  C   LIG    1       -5.108   2.164  -0.955  0.00  0.00    +0.163 C 
ATOM     15  O   LIG    1       -6.397   1.956  -1.531  0.00  0.00    -0.380 OA
ATOM     16  C   LIG    1       -6.998   0.737  -1.096  0.00  0.00    +0.163 C 
ATOM     17  C   LIG    1       -6.145  -0.455  -1.497  0.00  0.00    +0.072 C 
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1        1.328  -0.677   3.539  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.933   0.627   2.982  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.454   1.413   4.065  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        3.096   0.869   4.553  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        3.079   0.370   1.966  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        2.707  -0.396   0.757  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        3.905  -0.808  -0.005  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        4.563   0.286  -0.817  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        3.838   1.421  -1.222  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        4.461   2.402  -2.006  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        5.787   2.247  -2.406  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.503   1.115  -2.022  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        2.415   1.619  -0.764  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        5.893   0.137  -1.236  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        1.807   0.350  -0.148  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8