REMARK  Name = BDB049378
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.588  -0.817   0.184  0.00  0.00    +0.111 A 
ATOM      2  N   LIG    1       -0.218   0.088  -0.479  0.00  0.00    -0.326 N 
ATOM      3  C   LIG    1       -1.530  -0.237  -0.213  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -1.446  -1.346   0.621  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1       -2.618  -1.950   1.098  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -3.859  -1.414   0.724  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1       -3.917  -0.295  -0.119  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -2.754   0.317  -0.604  0.00  0.00    +0.028 A 
ATOM      9  N   LIG    1       -0.140  -1.690   0.851  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -5.079  -2.030   1.203  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -6.052  -1.390   1.939  0.00  0.00    +0.142 A 
ATOM     12  C   LIG    1       -6.227  -0.023   2.466  0.00  0.00    +0.090 C 
ATOM     13  O   LIG    1       -7.049  -2.271   2.223  0.00  0.00    -0.359 OA
ATOM     14  N   LIG    1       -6.742  -3.509   1.691  0.00  0.00    -0.083 NA
ATOM     15  C   LIG    1       -5.558  -3.362   1.084  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1       -4.927  -4.514   0.399  0.00  0.00    +0.070 C 
ENDBRANCH   6  10
BRANCH   1  17
ATOM     17  C   LIG    1        2.083  -0.816   0.147  0.00  0.00    +0.079 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.606  -1.800  -0.901  0.00  0.00    +0.043 C 
BRANCH  18  21
ATOM     19  C   LIG    1        6.326  -2.280  -0.182  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        4.933  -2.352  -0.086  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        4.108  -1.727  -1.032  0.00  0.00    -0.044 A 
ATOM     22  C   LIG    1        4.700  -1.019  -2.084  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        6.089  -0.944  -2.185  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        6.901  -1.573  -1.237  0.00  0.00    +0.045 A 
BRANCH  19  26
ATOM     25  C   LIG    1        8.421  -2.918   0.743  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        7.001  -2.936   0.810  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   2  27
ATOM     27  C   LIG    1        0.229   1.163  -1.348  0.00  0.00    +0.139 C 
BRANCH  27  28
ATOM     28  C   LIG    1        0.519   2.473  -0.595  0.00  0.00    +0.106 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -0.692   3.233  -0.246  0.00  0.00    -0.296 NA
ATOM     30  C   LIG    1       -0.431   4.153   0.883  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -1.492   5.260   0.966  0.00  0.00    +0.175 C 
ATOM     32  O   LIG    1       -1.485   6.120  -0.182  0.00  0.00    -0.377 OA
ATOM     33  C   LIG    1       -1.003   5.476  -1.367  0.00  0.00    +0.175 C 
ATOM     34  C   LIG    1       -1.282   3.963  -1.389  0.00  0.00    +0.112 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   2  27
TORSDOF 8