REMARK  Name = BDB032774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.728   0.159   0.556  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        3.804   1.071   0.070  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1        3.775   1.585  -1.031  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.816   1.281   1.134  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1        3.149   0.453   2.204  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1        2.368   0.440   3.345  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.247   1.278   3.387  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1        0.914   2.122   2.300  0.00  0.00    -0.010 A 
ATOM      9  C   LIG    1        1.711   2.113   1.146  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        4.380  -0.331   1.884  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        8.184  -3.467  -1.727  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        7.473  -2.540  -1.351  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1        7.826  -1.774  -0.269  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1        8.663  -2.071   0.215  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1        7.022  -0.899   0.426  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1        7.363  -0.509   1.541  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1        5.744  -0.448  -0.299  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1        5.162  -1.630  -1.078  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1        6.195  -2.161  -2.058  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   8  20
ATOM     20  C   LIG    1       -0.313   2.995   2.367  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.480   2.193   2.148  0.00  0.00    -0.445 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -1.965   2.194   0.878  0.00  0.00    +0.405 C 
ATOM     23  N   LIG    1       -3.049   1.364   0.845  0.00  0.00    -0.251 N 
ATOM     24  H   LIG    1       -3.255   0.934   1.735  0.00  0.00    +0.158 HD
ATOM     25  O   LIG    1       -1.485   2.840  -0.041  0.00  0.00    -0.226 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -3.874   1.044  -0.247  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -4.931   0.155  -0.014  0.00  0.00    +0.069 A 
ATOM     28  C   LIG    1       -5.794  -0.221  -1.047  0.00  0.00    +0.123 A 
ATOM     29  C   LIG    1       -5.617   0.308  -2.323  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -4.567   1.195  -2.564  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -3.697   1.559  -1.532  0.00  0.00    +0.023 A 
BRANCH  28  32
ATOM     32  O   LIG    1       -6.797  -1.089  -0.691  0.00  0.00    -0.489 OA
BRANCH  32  33
ATOM     33  C   LIG    1       -7.434  -1.806  -1.765  0.00  0.00    +0.174 C 
ATOM     34  C   LIG    1       -8.751  -1.262  -2.250  0.00  0.00    +0.048 C 
ATOM     35  C   LIG    1       -8.722  -2.488  -1.386  0.00  0.00    +0.048 C 
ENDBRANCH  32  33
ENDBRANCH  28  32
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 7