REMARK  Name = BDB032786
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        5.580   0.516  -0.200  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        4.566  -0.191   0.431  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        4.565  -1.351   0.794  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        3.449   0.741   0.614  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        3.854   1.997   0.168  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        2.984   3.070   0.225  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.700   2.852   0.741  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        1.297   1.578   1.207  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1        2.190   0.499   1.133  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        5.266   1.935  -0.306  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       10.270  -2.326   0.335  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        9.238  -1.690   0.142  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        8.755  -0.822   1.089  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        9.281  -0.770   1.951  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        7.713   0.068   0.968  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        7.505   0.904   1.847  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        6.945   0.028  -0.363  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        7.030  -1.363  -0.991  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        8.491  -1.746  -1.170  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1       -0.099   1.369   1.740  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -0.913   0.923   0.654  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.215   0.729   0.990  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1       -2.876   0.297  -0.123  0.00  0.00    -0.250 N 
ATOM     24  H   LIG    1       -2.282   0.210  -0.936  0.00  0.00    +0.158 HD
ATOM     25  O   LIG    1       -2.667   0.922   2.107  0.00  0.00    -0.226 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -4.237  -0.028  -0.253  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1       -4.711  -0.451  -1.490  0.00  0.00    +0.134 A 
ATOM     28  N   LIG    1       -5.997  -0.792  -1.751  0.00  0.00    -0.258 NA
ATOM     29  C   LIG    1       -6.893  -0.720  -0.737  0.00  0.00    +0.044 A 
ATOM     30  C   LIG    1       -6.496  -0.305   0.535  0.00  0.00    +0.025 A 
ATOM     31  C   LIG    1       -5.164   0.043   0.778  0.00  0.00    +0.027 A 
BRANCH  29  32
ATOM     32  C   LIG    1       -8.352  -1.137  -1.143  0.00  0.00    +0.038 C 
ATOM     33  C   LIG    1       -9.530  -0.178  -0.806  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1      -10.401  -1.433  -0.597  0.00  0.00    +0.001 C 
ATOM     35  C   LIG    1       -9.099  -2.197  -0.283  0.00  0.00    +0.010 C 
ENDBRANCH  29  32
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 6