REMARK  Name = BDB007702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.301  -2.217  -1.242  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1       -1.218  -1.503  -0.250  0.00  0.00    +0.263 C 
ATOM      3  N   LIG    1       -0.126  -1.465   0.587  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1       -0.247  -0.978   1.473  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.340  -0.595   0.149  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1       -2.161   0.123   1.282  0.00  0.00    -0.231 NA
ATOM      7  C   LIG    1       -3.188   0.912   1.603  0.00  0.00    +0.224 A 
ATOM      8  N   LIG    1       -4.330   1.045   0.911  0.00  0.00    -0.221 NA
ATOM      9  C   LIG    1       -4.463   0.322  -0.212  0.00  0.00    +0.123 A 
ATOM     10  C   LIG    1       -3.473  -0.539  -0.633  0.00  0.00    +0.076 A 
BRANCH   9  11
ATOM     11  N   LIG    1       -5.647   0.386  -0.968  0.00  0.00    -0.324 N 
ATOM     12  H   LIG    1       -5.403   0.537  -1.945  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -6.658   1.334  -0.498  0.00  0.00    +0.099 C 
ATOM     14  C   LIG    1       -7.779   1.522  -1.522  0.00  0.00    +0.182 C 
ATOM     15  O   LIG    1       -8.978   1.842  -0.799  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1       -8.726   1.611   0.593  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -7.447   0.809   0.684  0.00  0.00    +0.052 C 
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1        0.962  -2.419   0.490  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.215  -1.956   1.248  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.842  -1.639   2.603  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        2.657  -1.402   3.078  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        2.905  -0.732   0.601  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        3.411  -0.940  -0.766  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        3.868   0.330  -1.366  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.223   0.807  -0.886  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.158  -0.097  -0.347  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.419   0.364   0.055  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.758   1.708  -0.095  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.841   2.602  -0.644  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.786  -1.545  -0.145  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        5.581   2.154  -1.042  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.492  -1.933  -0.876  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8