REMARK  Name = BDB004123
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.767   1.061  -0.250  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -0.031   0.297  -1.146  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1       -1.353  -0.055  -0.798  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1       -2.104  -0.815  -1.716  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -1.577  -1.218  -2.944  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.280  -0.874  -3.279  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -1.904   0.359   0.459  0.00  0.00    -0.290 N 
ATOM      8  C   LIG    1       -1.127   1.062   1.383  0.00  0.00    +0.317 A 
ATOM      9  O   LIG    1       -1.560   1.471   2.459  0.00  0.00    -0.262 OA
ATOM     10  C   LIG    1        0.487  -0.127  -2.387  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        0.325   1.377   1.028  0.00  0.00    +0.317 A 
ATOM     12  O   LIG    1        1.035   1.923   1.869  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   7  13
ATOM     13  C   LIG    1       -3.302   0.070   0.863  0.00  0.00    +0.177 C 
ATOM     14  C   LIG    1       -3.593  -1.436   1.028  0.00  0.00    +0.242 C 
ATOM     15  O   LIG    1       -2.711  -2.297   0.995  0.00  0.00    -0.273 OA
ATOM     16  N   LIG    1       -4.872  -1.848   1.332  0.00  0.00    -0.255 N 
ATOM     17  H   LIG    1       -4.851  -2.831   1.584  0.00  0.00    +0.158 HD
ATOM     18  C   LIG    1       -5.820  -1.181   2.067  0.00  0.00    +0.219 C 
ATOM     19  O   LIG    1       -6.428  -1.771   2.959  0.00  0.00    -0.275 OA
ATOM     20  C   LIG    1       -6.068   0.283   1.779  0.00  0.00    +0.096 C 
ATOM     21  C   LIG    1       -5.783   0.651   0.332  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1       -4.304   0.904   0.045  0.00  0.00    +0.035 C 
ENDBRANCH   7  13
BRANCH   1  23
ATOM     23  C   LIG    1        2.148   1.434  -0.561  0.00  0.00    +0.246 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.145   0.340  -0.192  0.00  0.00    +0.328 C 
ATOM     25  O   LIG    1        2.866  -0.835  -0.002  0.00  0.00    -0.249 OA
BRANCH  24  26
ATOM     26  O   LIG    1        4.401   0.870  -0.170  0.00  0.00    -0.458 OA
BRANCH  26  28
ATOM     27  C   LIG    1        5.758  -1.062  -0.871  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        5.548   0.046   0.166  0.00  0.00    +0.105 C 
ATOM     29  C   LIG    1        6.747   1.006   0.108  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        5.436  -0.511   1.589  0.00  0.00    +0.055 C 
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 5