REMARK  Name = BDB032762
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        5.200  -0.278  -0.050  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.157   0.637  -0.079  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.111   1.702  -0.664  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        3.079   0.078   0.744  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        3.532  -1.118   1.297  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        2.706  -1.860   2.120  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.417  -1.374   2.376  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        0.965  -0.152   1.822  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1        1.815   0.584   0.983  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        4.937  -1.379   0.868  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       10.632  -0.256  -0.755  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        9.415  -0.096  -0.761  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        8.793   0.644   0.213  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        9.403   0.959   0.956  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        7.464   0.557   0.560  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        7.099   0.861   1.693  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        6.528   0.052  -0.552  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        7.191  -1.124  -1.263  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        8.528  -0.678  -1.836  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1       -0.433   0.341   2.100  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.250  -0.023   0.985  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.553   0.337   1.121  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1       -3.215  -0.051  -0.008  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1       -2.619  -0.505  -0.686  0.00  0.00    +0.158 HD
ATOM     25  O   LIG    1       -3.002   0.906   2.103  0.00  0.00    -0.226 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -4.574   0.107  -0.322  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1       -5.010  -0.379  -1.555  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1       -6.353  -0.256  -1.936  0.00  0.00    +0.006 A 
ATOM     29  C   LIG    1       -7.314   0.354  -1.109  0.00  0.00    -0.040 A 
ATOM     30  C   LIG    1       -6.843   0.834   0.128  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1       -5.501   0.715   0.518  0.00  0.00    +0.024 A 
BRANCH  29  32
ATOM     32  C   LIG    1       -8.829   0.483  -1.561  0.00  0.00    +0.070 C 
ATOM     33  C   LIG    1       -9.536   1.845  -1.469  0.00  0.00    +0.170 C 
ATOM     34  O   LIG    1      -10.690   1.246  -0.829  0.00  0.00    -0.378 OA
ATOM     35  C   LIG    1       -9.947   0.021  -0.612  0.00  0.00    +0.170 C 
ENDBRANCH  29  32
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 6