REMARK  Name = BDB032711
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.611   0.332   0.455  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.647   1.032  -0.256  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        3.497   2.237  -0.320  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.817   0.035  -0.941  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        3.353  -1.225  -0.683  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        2.762  -2.356  -1.216  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.623  -2.192  -2.013  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        1.086  -0.909  -2.279  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1        1.694   0.226  -1.724  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        4.565  -1.098   0.178  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        9.608   1.248   2.501  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        8.450   1.269   2.096  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        8.170   1.371   0.757  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        8.982   1.340   0.155  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        6.995   0.982   0.153  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        6.990   0.642  -1.027  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        5.756   0.998   1.064  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        6.127   0.398   2.417  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        7.264   1.201   3.030  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1       -0.150  -0.769  -3.131  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.291  -1.230  -2.399  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.012  -0.267  -1.770  0.00  0.00    +0.403 C 
ATOM     23  N   LIG    1       -3.062  -0.797  -1.069  0.00  0.00    -0.264 N 
ATOM     24  C   LIG    1       -3.995   0.028  -0.326  0.00  0.00    +0.155 C 
ATOM     25  C   LIG    1       -5.147  -0.916   0.034  0.00  0.00    +0.192 C 
ATOM     26  C   LIG    1       -4.424  -2.265   0.144  0.00  0.00    +0.065 C 
ATOM     27  C   LIG    1       -3.394  -2.204  -0.971  0.00  0.00    +0.115 C 
ATOM     28  O   LIG    1       -1.771   0.932  -1.823  0.00  0.00    -0.226 OA
BRANCH  25  29
ATOM     29  O   LIG    1       -5.747  -0.625   1.290  0.00  0.00    -0.487 OA
BRANCH  29  30
ATOM     30  C   LIG    1       -6.640   0.406   1.360  0.00  0.00    +0.121 A 
ATOM     31  C   LIG    1       -7.100   1.179   0.294  0.00  0.00    +0.045 A 
ATOM     32  C   LIG    1       -8.019   2.210   0.518  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -8.483   2.471   1.806  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -8.030   1.702   2.873  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1       -7.113   0.673   2.648  0.00  0.00    +0.045 A 
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 6