REMARK  Name = BDB034331
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.768  -2.854   0.991  0.00  0.00    +0.239 C 
ATOM      2  N   LIG    1       -1.898  -2.650  -0.072  0.00  0.00    -0.294 N 
ATOM      3  O   LIG    1       -3.985  -2.703   0.899  0.00  0.00    -0.271 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -2.864  -3.148   3.426  0.00  0.00    +0.013 C 
ATOM      5  C   LIG    1       -2.180  -3.297   2.285  0.00  0.00    +0.060 C 
ENDBRANCH   1   5
BRANCH   2   6
ATOM      6  C   LIG    1       -2.500  -2.531  -1.407  0.00  0.00    +0.143 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -2.363  -1.149  -1.997  0.00  0.00    -0.029 A 
ATOM      8  C   LIG    1       -1.452  -0.907  -3.041  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -1.305   0.397  -3.554  0.00  0.00    -0.000 A 
ATOM     10  C   LIG    1       -2.082   1.421  -3.015  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1       -1.740   2.579  -3.677  0.00  0.00    -0.361 N 
ATOM     12  H   LIG    1       -2.144   3.486  -3.489  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1       -0.779   2.320  -4.619  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1       -3.009   1.208  -1.990  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -0.491   0.975  -4.566  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1       -3.136  -0.094  -1.494  0.00  0.00    +0.007 A 
ENDBRANCH   6   7
ENDBRANCH   2   6
BRANCH   2  17
ATOM     17  C   LIG    1       -0.431  -2.683  -0.005  0.00  0.00    +0.110 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.226  -1.616   0.879  0.00  0.00    +0.038 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.113  -0.180   0.479  0.00  0.00    +0.103 C 
BRANCH  19  20
ATOM     20  N   LIG    1        0.624   0.777   1.307  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        0.376   0.692   2.288  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.989   1.051   1.116  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        2.732   1.760   2.108  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        4.099   2.025   1.848  0.00  0.00    +0.073 A 
ATOM     25  C   LIG    1        4.858   2.687   2.805  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        4.313   3.117   4.015  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        2.972   2.888   4.279  0.00  0.00    +0.001 A 
ATOM     28  N   LIG    1        4.710   1.675   0.709  0.00  0.00    -0.255 NA
ATOM     29  C   LIG    1        3.969   1.073  -0.237  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1        2.190   2.220   3.337  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1        2.632   0.758  -0.089  0.00  0.00    +0.043 A 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   2  17
TORSDOF 8