REMARK  Name = BDB007593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.853   1.382  -0.574  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        0.694   0.645  -0.466  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        0.756  -0.325  -0.179  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.873   2.608  -0.551  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        5.549   0.574  -0.419  0.00  0.00    -0.033 A 
ATOM      6  C   LIG    1        4.321   1.248  -0.331  0.00  0.00    +0.018 A 
ATOM      7  C   LIG    1        3.124   0.611  -0.690  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        3.159  -0.706  -1.162  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        4.376  -1.385  -1.250  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        5.562  -0.750  -0.877  0.00  0.00    +0.005 A 
BRANCH   5  11
ATOM     11  C   LIG    1        6.830   1.262  -0.013  0.00  0.00    +0.116 C 
BRANCH  11  12
ATOM     12  N   LIG    1        7.001   1.385   1.441  0.00  0.00    -0.304 NA
ATOM     13  H   LIG    1        6.140   1.773   1.827  0.00  0.00    +0.123 HD
BRANCH  12  14
ATOM     14  C   LIG    1        7.253   0.086   2.103  0.00  0.00    +0.177 C 
BRANCH  14  18
ATOM     15  N   LIG    1        9.636   0.462   1.764  0.00  0.00    -0.328 N 
ATOM     16  H   LIG    1       10.535   0.177   1.402  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        9.361   1.435   1.676  0.00  0.00    +0.145 HD
ATOM     18  C   LIG    1        8.631  -0.466   1.737  0.00  0.00    +0.224 C 
ATOM     19  O   LIG    1        8.849  -1.642   1.472  0.00  0.00    -0.275 OA
ENDBRANCH  14  18
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1       -0.572   1.287  -0.155  0.00  0.00    +0.137 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.745   0.354  -0.465  0.00  0.00    +0.145 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -1.592  -0.862   0.290  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -2.502  -1.224   0.352  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.092   1.009  -0.097  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -4.207   0.038  -0.192  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -5.381   0.559   0.543  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -6.625  -0.289   0.385  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.764  -1.171  -0.701  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.938  -1.922  -0.843  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.980  -1.781   0.073  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.854  -0.893   1.139  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.626  -1.353  -1.670  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -7.685  -0.149   1.294  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.595  -0.217  -1.592  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 10