REMARK  Name = BDB015768
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.754  -0.547  -0.187  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1        0.088   0.543  -0.580  0.00  0.00    -0.180 NA
ATOM      3  C   LIG    1       -1.190   0.384  -0.957  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.865  -0.769  -0.953  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.189  -1.847  -0.518  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.137  -1.781  -0.130  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.948  -3.121  -0.518  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.841  -3.977   0.517  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.538  -5.176   0.563  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -2.361  -6.038   1.721  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.409  -5.572  -0.449  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -4.047  -6.621  -0.464  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.554  -4.621  -1.581  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.864  -3.475  -1.593  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.083  -0.449   0.248  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        2.650  -1.185  -0.167  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.723   0.869   0.144  0.00  0.00    +0.069 C 
ATOM     18  C   LIG    1        3.245   1.091  -1.278  0.00  0.00    +0.028 C 
BRANCH  17  19
ATOM     19  C   LIG    1        3.897   0.926   1.142  0.00  0.00    +0.022 C 
BRANCH  19  21
ATOM     20  C   LIG    1        2.563   1.863   3.112  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1        3.497   0.770   2.615  0.00  0.00    -0.002 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  22
ATOM     22  O   LIG    1       -1.915   1.485  -1.407  0.00  0.00    -0.422 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -1.261   2.697  -1.359  0.00  0.00    +0.152 A 
ATOM     24  C   LIG    1       -0.438   3.103  -2.420  0.00  0.00    +0.094 A 
ATOM     25  C   LIG    1        0.201   4.347  -2.358  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        0.009   5.180  -1.256  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -0.828   4.780  -0.212  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -1.486   3.543  -0.257  0.00  0.00    -0.007 A 
ATOM     29  C   LIG    1       -2.372   3.123   0.880  0.00  0.00    +0.047 C 
BRANCH  24  30
ATOM     30  C   LIG    1       -0.231   2.268  -3.567  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1       -0.047   1.607  -4.504  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 8