REMARK  Name = BDB017832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.386   1.891  -1.017  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.100   2.015  -0.823  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.491   3.357  -0.863  0.00  0.00    -0.042 A 
ATOM      4  C   LIG    1       -1.821   3.716  -0.740  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.767   2.701  -0.565  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -2.395   1.339  -0.534  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        0.683   4.252  -1.107  0.00  0.00    +0.037 C 
ATOM      8  C   LIG    1       -1.040   1.001  -0.674  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        1.848   3.332  -0.721  0.00  0.00    +0.032 C 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -3.430   0.326  -0.362  0.00  0.00    +0.089 A 
ATOM     11  N   LIG    1       -4.767   0.648  -0.131  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1       -5.366  -0.508  -0.039  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1       -6.739  -0.998   0.180  0.00  0.00    +0.076 C 
ATOM     14  C   LIG    1       -6.609  -2.483  -0.248  0.00  0.00    +0.029 C 
ATOM     15  C   LIG    1       -5.116  -2.837  -0.110  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1       -4.491  -1.535  -0.191  0.00  0.00    -0.334 N 
ATOM     17  C   LIG    1       -3.255  -1.053  -0.404  0.00  0.00    +0.115 A 
ENDBRANCH   6  10
BRANCH   1  19
ATOM     18  C   LIG    1        3.262   0.465  -0.326  0.00  0.00    +0.246 C 
ATOM     19  N   LIG    1        1.987   0.938  -0.111  0.00  0.00    -0.304 N 
ATOM     20  H   LIG    1        1.438   0.648   0.686  0.00  0.00    +0.150 HD
ATOM     21  O   LIG    1        3.931   0.764  -1.309  0.00  0.00    -0.270 OA
BRANCH  18  24
ATOM     22  C   LIG    1        5.338  -2.270   1.219  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        4.806  -1.384   0.286  0.00  0.00    +0.061 A 
ATOM     24  C   LIG    1        3.816  -0.474   0.678  0.00  0.00    +0.058 A 
ATOM     25  C   LIG    1        3.417  -0.471   2.008  0.00  0.00    +0.124 A 
ATOM     26  N   LIG    1        3.904  -1.323   2.941  0.00  0.00    -0.259 NA
ATOM     27  C   LIG    1        4.849  -2.199   2.520  0.00  0.00    +0.156 A 
BRANCH  22  29
ATOM     28  C   LIG    1        6.848  -3.259  -0.322  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        6.296  -3.213   0.989  0.00  0.00    -0.494 OA
ENDBRANCH  22  29
ENDBRANCH  18  24
ENDBRANCH   1  19
TORSDOF 4