REMARK  Name = BDB012817
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.985   1.686   0.465  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.047   1.402  -0.709  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.208   1.000  -0.084  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        2.284   0.627  -0.876  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        2.178   0.591  -2.100  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.016   0.717   1.334  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -0.496   0.692   1.523  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -5.273   3.954   0.403  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -4.499   2.702   0.120  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -3.174   2.718   0.390  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -2.451   1.600   0.144  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -3.037   0.443  -0.365  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -4.409   0.420  -0.646  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -5.144   1.583  -0.394  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -5.054  -0.784  -1.187  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.844  -0.747  -2.337  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1       -6.471  -1.817  -2.884  0.00  0.00    -0.263 NA
ATOM     18  C   LIG    1       -6.303  -3.000  -2.258  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -5.541  -3.159  -1.113  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -4.912  -2.037  -0.576  0.00  0.00    +0.011 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1        3.515   0.275  -0.216  0.00  0.00    +0.121 A 
ATOM     22  N   LIG    1        4.047   0.895   0.878  0.00  0.00    -0.272 N 
ATOM     23  H   LIG    1        3.676   1.696   1.377  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1        5.202   0.363   1.307  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1        5.479  -0.582   0.399  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        4.462  -0.662  -0.581  0.00  0.00    +0.057 A 
BRANCH  25  27
ATOM     27  C   LIG    1        6.733  -1.403   0.484  0.00  0.00    +0.033 C 
ATOM     28  C   LIG    1        7.989  -0.538   0.362  0.00  0.00    +0.014 C 
ATOM     29  C   LIG    1        6.778  -2.241   1.764  0.00  0.00    +0.014 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4