REMARK  Name = BDB007531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.089   2.008   1.804  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.110   0.640   1.972  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -0.590   0.072   1.515  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.975   2.741   2.229  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -3.348   2.486   0.218  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -2.305   1.959   0.989  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -1.040   2.569   1.013  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -0.823   3.753   0.305  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.860   4.316  -0.432  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -3.108   3.690  -0.465  0.00  0.00    +0.023 A 
BRANCH   5  11
ATOM     11  N   LIG    1       -4.640   1.959   0.193  0.00  0.00    -0.341 N 
ATOM     12  H   LIG    1       -5.172   2.284  -0.611  0.00  0.00    +0.146 HD
BRANCH  11  18
ATOM     13  C   LIG    1       -4.934  -2.724  -1.393  0.00  0.00    +0.041 C 
ATOM     14  C   LIG    1       -4.745  -1.851  -0.147  0.00  0.00    +0.066 C 
ATOM     15  O   LIG    1       -5.914  -1.957   0.682  0.00  0.00    -0.374 OA
ATOM     16  C   LIG    1       -6.921  -0.993   0.397  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1       -6.439   0.405   0.764  0.00  0.00    +0.050 C 
ATOM     18  C   LIG    1       -4.926   0.566   0.552  0.00  0.00    +0.075 C 
ATOM     19  C   LIG    1       -4.451  -0.390  -0.545  0.00  0.00    +0.056 C 
ATOM     20  C   LIG    1       -3.588  -2.420   0.686  0.00  0.00    +0.041 C 
ENDBRANCH  11  18
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  21
ATOM     21  C   LIG    1        1.112  -0.042   2.782  0.00  0.00    +0.137 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.570   0.033   2.268  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  O   LIG    1        3.167   1.278   2.642  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        2.532   1.990   2.406  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        2.673  -0.202   0.740  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.047  -0.287   0.200  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        4.011  -0.220  -1.274  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        5.348  -0.463  -1.943  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        6.395  -1.099  -1.256  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        7.613  -1.339  -1.906  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        7.781  -0.975  -3.241  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.739  -0.362  -3.933  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.227  -1.454   0.198  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        5.528  -0.109  -3.289  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        4.754  -1.502   0.627  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 8