REMARK  Name = BDB007513
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.031   1.465   0.139  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.201   1.122   0.650  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.250   0.551   1.484  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.169   1.953  -0.977  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.577   0.576   1.127  0.00  0.00    -0.030 A 
ATOM      6  C   LIG    1       -3.432   0.872   0.368  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1       -2.211   1.158   0.992  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1       -2.133   1.172   2.389  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -3.263   0.876   3.153  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.473   0.574   2.526  0.00  0.00    +0.005 A 
BRANCH   5  13
ATOM     11  C   LIG    1       -6.783   2.370  -0.334  0.00  0.00    +0.105 C 
ATOM     12  N   LIG    1       -6.209   1.082  -0.700  0.00  0.00    -0.298 NA
ATOM     13  C   LIG    1       -5.898   0.236   0.466  0.00  0.00    +0.087 C 
ATOM     14  C   LIG    1       -5.910  -1.197  -0.092  0.00  0.00    +0.025 C 
ATOM     15  C   LIG    1       -6.448  -1.071  -1.512  0.00  0.00    +0.017 C 
ATOM     16  C   LIG    1       -7.108   0.293  -1.539  0.00  0.00    +0.085 C 
ENDBRANCH   5  13
ENDBRANCH   1   7
BRANCH   2  17
ATOM     17  C   LIG    1        1.449   1.366  -0.068  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.613   0.479  -1.320  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1        0.892   1.032  -2.432  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        0.044   1.386  -2.080  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        3.092   0.368  -1.750  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.983  -0.257  -0.752  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        5.392   0.013  -1.112  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        6.394  -0.710  -0.236  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.023  -1.855   0.490  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        6.976  -2.526   1.268  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.296  -2.080   1.304  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        8.672  -0.957   0.571  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.589  -2.316   0.481  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        7.728  -0.277  -0.198  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        3.779  -1.714  -0.676  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 7