REMARK  Name = BDB053432
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.651  -2.110   0.894  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1        0.937  -1.233  -0.006  0.00  0.00    -0.241 N 
ATOM      3  C   LIG    1        1.415  -0.586  -1.105  0.00  0.00    +0.194 C 
ATOM      4  N   LIG    1        0.511   0.059  -1.789  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -0.667  -0.132  -1.097  0.00  0.00    +0.130 C 
ATOM      6  C   LIG    1       -1.830   0.413  -1.478  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -0.403  -0.992   0.096  0.00  0.00    +0.271 C 
ATOM      8  O   LIG    1       -1.181  -1.387   0.942  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -3.130   0.280  -0.817  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1       -3.772   1.434  -0.345  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1       -5.011   1.290   0.244  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1       -5.768   2.297   0.758  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1       -6.915   1.560   1.230  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1       -6.834   0.143   0.971  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1       -5.620   0.063   0.365  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1       -5.024  -1.089  -0.097  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1       -3.766  -0.974  -0.700  0.00  0.00    +0.012 A 
ENDBRANCH   6   9
BRANCH   3  18
ATOM     18  N   LIG    1        2.725  -0.623  -1.499  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1        2.816  -0.167  -2.406  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1        3.803  -0.184  -0.688  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        3.635   0.682   0.402  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        4.737   1.119   1.144  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        6.013   0.700   0.786  0.00  0.00    +0.117 A 
ATOM     24  C   LIG    1        6.204  -0.140  -0.303  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1        5.102  -0.573  -1.043  0.00  0.00    +0.027 A 
BRANCH  23  26
ATOM     26  O   LIG    1        7.114   1.100   1.480  0.00  0.00    -0.507 OA
ATOM     27  H   LIG    1        6.833   1.684   2.204  0.00  0.00    +0.292 HD
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 4