REMARK  Name = BDB047285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.318  -0.116  -0.304  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        1.021   0.221  -0.493  0.00  0.00    -0.301 N 
ATOM      3  C   LIG    1        2.066  -0.775  -0.736  0.00  0.00    +0.111 C 
ATOM      4  C   LIG    1        3.247  -0.194  -1.509  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1        3.793   1.072  -0.844  0.00  0.00    +0.176 C 
ATOM      6  C   LIG    1        2.655   2.081  -0.671  0.00  0.00    +0.063 C 
ATOM      7  C   LIG    1        1.477   1.484   0.090  0.00  0.00    +0.111 C 
ATOM      8  O   LIG    1       -1.138   0.679   0.164  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -0.756  -1.508  -0.742  0.00  0.00    +0.096 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -2.244  -1.773  -0.489  0.00  0.00    +0.017 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -3.161  -0.948  -1.399  0.00  0.00    +0.076 C 
BRANCH  11  19
ATOM     12  C   LIG    1       -8.379  -1.233  -0.747  0.00  0.00    +0.065 C 
ATOM     13  C   LIG    1       -7.728  -0.173   0.063  0.00  0.00    +0.041 A 
ATOM     14  N   LIG    1       -6.370   0.044   0.019  0.00  0.00    -0.230 N 
ATOM     15  C   LIG    1       -6.055   1.075   0.862  0.00  0.00    +0.130 A 
ATOM     16  C   LIG    1       -4.695   1.489   0.993  0.00  0.00    +0.276 A 
ATOM     17  N   LIG    1       -3.840   0.768   0.200  0.00  0.00    -0.308 N 
ATOM     18  H   LIG    1       -2.849   0.998   0.281  0.00  0.00    +0.170 HD
ATOM     19  C   LIG    1       -4.255  -0.258  -0.613  0.00  0.00    +0.131 A 
ATOM     20  O   LIG    1       -4.301   2.386   1.730  0.00  0.00    -0.266 OA
ATOM     21  C   LIG    1       -7.214   1.528   1.455  0.00  0.00    +0.035 A 
ATOM     22  N   LIG    1       -5.484  -0.651  -0.735  0.00  0.00    -0.153 NA
ATOM     23  C   LIG    1       -8.274   0.738   0.949  0.00  0.00    +0.025 A 
ENDBRANCH  11  19
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   5  24
ATOM     24  O   LIG    1        4.312   0.777   0.458  0.00  0.00    -0.489 OA
BRANCH  24  25
ATOM     25  C   LIG    1        5.605   0.361   0.590  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        6.019   0.186   1.914  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        7.317  -0.241   2.209  0.00  0.00    +0.022 A 
ATOM     28  C   LIG    1        8.216  -0.501   1.173  0.00  0.00    +0.052 A 
ATOM     29  C   LIG    1        7.805  -0.331  -0.153  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1        6.503   0.098  -0.444  0.00  0.00    +0.047 A 
BRANCH  28  31
ATOM     31  C   LIG    1        9.548  -0.941   1.465  0.00  0.00    +0.099 C 
ATOM     32  N   LIG    1       10.627  -1.299   1.697  0.00  0.00    -0.191 NA
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 7