REMARK  Name = BDB007747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.678   0.923  -0.308  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        1.342  -0.324  -0.779  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1        2.065  -0.909  -1.179  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.860   1.787  -0.015  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      5  C   LIG    1        8.935   0.555   0.712  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1        7.555   0.966   0.359  0.00  0.00    +0.062 A 
ATOM      7  N   LIG    1        6.522   0.176   0.664  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1        5.422   0.838   0.214  0.00  0.00    -0.218 N 
ATOM      9  C   LIG    1        5.776   2.054  -0.381  0.00  0.00    +0.156 A 
ATOM     10  N   LIG    1        4.850   2.910  -0.902  0.00  0.00    -0.235 NA
ATOM     11  C   LIG    1        3.617   2.507  -0.829  0.00  0.00    +0.128 A 
ATOM     12  C   LIG    1        3.132   1.209  -0.265  0.00  0.00    +0.076 A 
ATOM     13  C   LIG    1        4.081   0.419   0.285  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1        3.830  -0.872   1.013  0.00  0.00    +0.066 C 
ATOM     15  C   LIG    1        7.144   2.143  -0.293  0.00  0.00    +0.073 A 
ENDBRANCH   1  12
BRANCH   2  16
ATOM     16  C   LIG    1       -0.041  -0.653  -1.120  0.00  0.00    +0.137 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -0.932  -0.842   0.119  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.378  -1.894   0.928  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1        0.519  -1.597   1.161  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.377  -1.230  -0.259  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.070  -0.294  -1.163  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -4.400  -0.810  -1.547  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.479  -0.651  -0.496  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -5.363   0.314   0.521  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -6.393   0.463   1.460  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.541  -0.324   1.377  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.668  -1.267   0.361  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.109   1.143   0.642  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -6.644  -1.428  -0.574  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.228   1.065  -0.613  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6