REMARK  Name = BDB039608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.352  -0.398  -0.623  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -1.184  -0.574  -2.086  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.277  -0.959  -2.411  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.660  -2.259  -1.834  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.037  -2.548  -0.570  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -0.527  -1.306   0.210  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -5.367   0.054   0.435  0.00  0.00    +0.126 A 
ATOM      8  N   LIG    1       -4.592   1.157   0.307  0.00  0.00    -0.245 NA
ATOM      9  C   LIG    1       -3.286   0.981  -0.030  0.00  0.00    +0.060 A 
ATOM     10  C   LIG    1       -2.464   2.234  -0.144  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -2.702  -0.280  -0.255  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -3.538  -1.393  -0.117  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1       -4.877  -1.231   0.231  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       -6.766   2.752   0.992  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -7.383   1.448   1.042  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -8.364   1.394   1.282  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -6.814   0.216   0.808  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -7.534  -0.780   0.914  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        2.097  -2.537  -1.847  0.00  0.00    +0.119 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.962  -1.712  -0.914  0.00  0.00    -0.031 A 
ATOM     21  C   LIG    1        3.528  -0.502  -1.351  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        4.318   0.259  -0.488  0.00  0.00    +0.050 A 
ATOM     23  N   LIG    1        4.867   1.479  -0.955  0.00  0.00    -0.320 N 
ATOM     24  H   LIG    1        4.686   1.790  -1.899  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        5.669   2.334  -0.203  0.00  0.00    +0.277 A 
ATOM     26  C   LIG    1        5.925   1.874   1.165  0.00  0.00    +0.157 A 
ATOM     27  C   LIG    1        5.386   0.659   1.645  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1        5.817   0.543   2.940  0.00  0.00    +0.114 A 
ATOM     29  N   LIG    1        6.573   1.663   3.166  0.00  0.00    -0.283 N 
ATOM     30  H   LIG    1        7.059   1.928   4.017  0.00  0.00    +0.188 HD
ATOM     31  N   LIG    1        6.657   2.490   2.106  0.00  0.00    -0.168 NA
ATOM     32  O   LIG    1        6.101   3.375  -0.694  0.00  0.00    -0.265 OA
ATOM     33  C   LIG    1        4.561  -0.192   0.828  0.00  0.00    +0.009 A 
ATOM     34  C   LIG    1        4.018  -1.397   1.266  0.00  0.00    +0.011 A 
ATOM     35  C   LIG    1        3.226  -2.153   0.395  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4