REMARK  Name = BDB031632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.099   2.982   3.300  0.00  0.00    +0.172 C 
ATOM      2  N   LIG    1        0.780   1.999   2.292  0.00  0.00    -0.270 N 
ATOM      3  C   LIG    1       -0.447   1.655   1.820  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.775   2.191   2.207  0.00  0.00    +0.074 C 
ATOM      5  C   LIG    1       -2.857   1.192   1.745  0.00  0.00    +0.117 C 
ATOM      6  N   LIG    1       -2.629   0.681   0.382  0.00  0.00    -0.263 N 
ATOM      7  C   LIG    1       -1.336   0.036   0.080  0.00  0.00    +0.150 C 
ATOM      8  C   LIG    1       -3.734   0.434  -0.418  0.00  0.00    +0.404 C 
ATOM      9  O   LIG    1       -4.872   0.780  -0.127  0.00  0.00    -0.226 OA
ATOM     10  C   LIG    1       -0.249   0.689   0.859  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        1.152   0.484   0.832  0.00  0.00    +0.152 A 
ATOM     12  N   LIG    1        1.779   1.289   1.722  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  11  13
ATOM     13  C   LIG    1        1.902  -0.466  -0.004  0.00  0.00    +0.265 C 
ATOM     14  N   LIG    1        3.265  -0.390   0.197  0.00  0.00    -0.299 N 
ATOM     15  H   LIG    1        3.508   0.204   0.988  0.00  0.00    +0.150 HD
ATOM     16  O   LIG    1        1.364  -1.238  -0.790  0.00  0.00    -0.268 OA
BRANCH  14  17
ATOM     17  C   LIG    1        4.160  -1.440  -0.251  0.00  0.00    +0.160 C 
ATOM     18  C   LIG    1        4.449  -2.375   0.930  0.00  0.00    +0.240 C 
ATOM     19  O   LIG    1        3.603  -3.124   1.418  0.00  0.00    -0.273 OA
ATOM     20  N   LIG    1        5.679  -2.246   1.531  0.00  0.00    -0.255 N 
ATOM     21  H   LIG    1        5.824  -2.829   2.345  0.00  0.00    +0.158 HD
ATOM     22  C   LIG    1        6.578  -1.223   1.375  0.00  0.00    +0.219 C 
ATOM     23  O   LIG    1        7.510  -1.076   2.162  0.00  0.00    -0.275 OA
ATOM     24  C   LIG    1        6.316  -0.252   0.251  0.00  0.00    +0.098 C 
ATOM     25  C   LIG    1        5.452  -0.875  -0.833  0.00  0.00    +0.041 C 
ENDBRANCH  14  17
ENDBRANCH  11  13
BRANCH   8  26
ATOM     26  O   LIG    1       -3.405  -0.234  -1.552  0.00  0.00    -0.445 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -4.411  -0.597  -2.533  0.00  0.00    +0.107 C 
ATOM     28  C   LIG    1       -5.072   0.645  -3.139  0.00  0.00    +0.055 C 
ATOM     29  C   LIG    1       -3.630  -1.324  -3.638  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -5.441  -1.567  -1.943  0.00  0.00    +0.055 C 
ENDBRANCH  26  27
ENDBRANCH   8  26
TORSDOF 4