REMARK  Name = BDB008658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.697   0.283  -0.998  0.00  0.00    -0.246 N 
ATOM      2  C   LIG    1        0.969  -0.491  -1.855  0.00  0.00    +0.159 A 
ATOM      3  C   LIG    1        0.058  -1.173  -1.063  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -0.820  -2.056  -1.708  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -0.710  -2.176  -3.095  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        0.252  -1.432  -3.782  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1        0.357  -1.572  -5.274  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1        0.315  -0.722   0.267  0.00  0.00    +0.092 A 
ATOM      9  N   LIG    1        1.116  -0.573  -3.192  0.00  0.00    -0.233 NA
ATOM     10  N   LIG    1        1.363   0.122   0.303  0.00  0.00    -0.172 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -0.411  -1.135   1.533  0.00  0.00    +0.124 C 
ATOM     12  C   LIG    1        0.185  -0.575   2.828  0.00  0.00    +0.035 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -1.862  -0.855   1.431  0.00  0.00    -0.288 N 
ATOM     14  C   LIG    1       -2.304   0.460   1.220  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -1.548   1.432   1.259  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -3.807   0.642   0.885  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -4.202  -0.028  -0.324  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -3.683   0.638  -1.485  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -4.151   2.098  -1.552  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -3.764   2.864  -0.357  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -2.740   2.902  -0.309  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -4.221   2.134   0.844  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -2.771  -1.978   1.526  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -3.679  -2.139   2.721  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -2.575  -3.121   2.494  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  26
ATOM     26  C   LIG    1        2.771   1.186  -1.355  0.00  0.00    +0.147 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.141   0.511  -1.437  0.00  0.00    +0.042 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.535  -0.278  -0.189  0.00  0.00    +0.109 C 
BRANCH  28  30
ATOM     29  C   LIG    1        5.312   1.382   1.460  0.00  0.00    +0.400 C 
ATOM     30  N   LIG    1        4.389   0.482   1.027  0.00  0.00    -0.281 N 
ATOM     31  H   LIG    1        3.473   0.528   1.466  0.00  0.00    +0.152 HD
ATOM     32  O   LIG    1        6.401   1.581   0.943  0.00  0.00    -0.226 OA
BRANCH  29  34
ATOM     33  C   LIG    1        5.713   3.016   3.075  0.00  0.00    +0.282 C 
ATOM     34  O   LIG    1        4.825   2.034   2.543  0.00  0.00    -0.454 OA
ENDBRANCH  29  34
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 9