REMARK  Name = BDB007634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.060   0.441  -1.366  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1       -0.590   0.239  -0.108  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.155   0.723   0.668  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -0.678   0.222  -2.402  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.002   2.197  -2.696  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.716   1.669  -2.589  0.00  0.00    +0.058 A 
ATOM      7  C   LIG    1        1.325   0.990  -1.426  0.00  0.00    +0.040 A 
ATOM      8  C   LIG    1        2.236   0.824  -0.375  0.00  0.00    +0.018 A 
ATOM      9  C   LIG    1        3.534   1.347  -0.472  0.00  0.00    -0.029 A 
ATOM     10  C   LIG    1        3.900   2.039  -1.635  0.00  0.00    +0.050 A 
BRANCH   5  12
ATOM     11  C   LIG    1        2.638   3.045  -4.887  0.00  0.00    +0.277 C 
ATOM     12  O   LIG    1        3.503   2.884  -3.768  0.00  0.00    -0.495 OA
ENDBRANCH   5  12
BRANCH   9  13
ATOM     13  C   LIG    1        4.520   1.182   0.666  0.00  0.00    +0.119 C 
BRANCH  13  14
ATOM     14  N   LIG    1        4.708  -0.217   1.077  0.00  0.00    -0.296 NA
ATOM     15  C   LIG    1        5.313  -1.024  -0.010  0.00  0.00    +0.100 C 
ATOM     16  C   LIG    1        6.069  -2.270   0.504  0.00  0.00    +0.099 C 
ATOM     17  N   LIG    1        7.185  -1.963   1.421  0.00  0.00    -0.303 NA
ATOM     18  C   LIG    1        8.478  -2.016   0.747  0.00  0.00    +0.105 C 
ATOM     19  C   LIG    1        6.995  -0.659   2.086  0.00  0.00    +0.099 C 
ATOM     20  C   LIG    1        5.507  -0.316   2.318  0.00  0.00    +0.100 C 
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   1   7
BRANCH   2  21
ATOM     21  C   LIG    1       -1.996  -0.096   0.070  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.842   1.167   0.284  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -2.305   1.885   1.418  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -2.469   1.345   2.211  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -4.342   0.893   0.544  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -5.031   0.219  -0.567  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -5.213  -1.228  -0.337  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -6.327  -1.590   0.624  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -7.382  -0.695   0.879  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -8.415  -1.067   1.749  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -8.415  -2.327   2.345  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.383  -3.224   2.079  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -7.373   0.683   0.266  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -6.346  -2.859   1.220  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -6.343   0.820  -0.866  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 9