REMARK  Name = BDB063360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.567   1.027  -0.782  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        0.124   1.472   0.374  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        1.344   0.893   0.628  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        1.776   1.454   1.795  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.897   2.332   2.221  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        1.925  -0.082  -0.196  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.278  -0.485  -1.257  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.147   2.345   1.322  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.051   0.087  -1.529  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  17
ATOM     10  N   LIG    1       -3.482   0.153   0.234  0.00  0.00    -0.344 N 
ATOM     11  C   LIG    1       -3.103   1.089  -0.727  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1       -4.304   1.641  -1.220  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.269   2.627  -2.228  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -3.050   3.067  -2.735  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -1.866   2.534  -2.248  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1       -5.384   1.040  -0.527  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1       -1.861   1.544  -1.246  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -4.854   0.149   0.366  0.00  0.00    +0.087 A 
BRANCH  10  20
ATOM     19  C   LIG    1       -2.562  -0.235   2.495  0.00  0.00    +0.030 C 
ATOM     20  C   LIG    1       -2.624  -0.714   1.044  0.00  0.00    +0.081 C 
ATOM     21  C   LIG    1       -3.035  -2.189   0.964  0.00  0.00    +0.030 C 
ENDBRANCH  10  20
ENDBRANCH   1  17
BRANCH   6  22
ATOM     22  N   LIG    1        3.158  -0.592   0.143  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        3.776  -0.028   0.718  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.909  -1.422  -0.787  0.00  0.00    +0.178 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.237  -1.839  -0.253  0.00  0.00    +0.122 A 
ATOM     26  O   LIG    1        5.976  -0.867   0.363  0.00  0.00    -0.466 OA
ATOM     27  C   LIG    1        7.133  -1.450   0.770  0.00  0.00    +0.195 A 
ATOM     28  C   LIG    1        7.149  -2.782   0.428  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1        5.922  -3.035  -0.233  0.00  0.00    +0.046 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5