REMARK  Name = BDB017235
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.167   0.046   0.723  0.00  0.00    +0.082 C 
ATOM      2  C   LIG    1       -2.353  -0.929   0.577  0.00  0.00    +0.032 C 
ATOM      3  C   LIG    1       -3.470  -0.339  -0.296  0.00  0.00    +0.024 C 
ATOM      4  C   LIG    1       -3.893   1.038   0.225  0.00  0.00    +0.085 C 
ATOM      5  N   LIG    1       -2.756   1.960   0.286  0.00  0.00    -0.299 NA
ATOM      6  C   LIG    1       -1.659   1.447   1.121  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.910  -2.338   0.212  0.00  0.00    -0.044 A 
ATOM      8  C   LIG    1       -1.814  -2.777  -1.116  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -1.377  -4.070  -1.412  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -1.027  -4.943  -0.386  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -1.111  -4.523   0.939  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -1.547  -3.230   1.236  0.00  0.00    +0.004 A 
ENDBRANCH   2   7
BRANCH   5  13
ATOM     13  C   LIG    1       -3.036   3.365   0.647  0.00  0.00    +0.057 C 
ATOM     14  C   LIG    1       -3.971   3.541   1.857  0.00  0.00    +0.019 C 
ATOM     15  C   LIG    1       -5.131   3.866   0.896  0.00  0.00    +0.003 C 
ATOM     16  C   LIG    1       -4.111   4.004  -0.251  0.00  0.00    +0.019 C 
ENDBRANCH   5  13
BRANCH   1  17
ATOM     17  C   LIG    1       -0.277   0.130  -0.522  0.00  0.00    +0.168 C 
ATOM     18  O   LIG    1       -0.723   0.228  -1.664  0.00  0.00    -0.292 OA
BRANCH  17  24
ATOM     19  C   LIG    1        6.175  -0.662  -1.131  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        5.419  -0.167  -0.066  0.00  0.00    +0.054 A 
ATOM     21  C   LIG    1        4.016  -0.082  -0.155  0.00  0.00    -0.014 A 
ATOM     22  C   LIG    1        3.368  -0.502  -1.338  0.00  0.00    -0.017 A 
ATOM     23  C   LIG    1        1.969  -0.417  -1.426  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        1.206   0.072  -0.356  0.00  0.00    +0.018 A 
ATOM     25  C   LIG    1        1.851   0.496   0.808  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        4.136  -0.997  -2.400  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        3.244   0.417   0.906  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        5.526  -1.075  -2.294  0.00  0.00    +0.046 A 
BRANCH  19  30
ATOM     29  C   LIG    1        8.251  -0.377  -0.005  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1        7.536  -0.793  -1.162  0.00  0.00    -0.495 OA
ENDBRANCH  19  30
ENDBRANCH  17  24
ENDBRANCH   1  17
TORSDOF 5