REMARK  Name = BDB012157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.055   0.190   0.168  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.362  -0.817   0.330  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1        0.027  -0.778   0.286  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1        0.885  -1.950   0.465  0.00  0.00    +0.108 C 
ATOM      5  C   LIG    1        2.309  -1.569   0.846  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1        2.948  -0.632  -0.191  0.00  0.00    +0.080 C 
ATOM      7  C   LIG    1        1.923   0.298  -0.861  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1        0.686   0.500   0.007  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        4.045   0.151   0.443  0.00  0.00    +0.221 A 
ATOM     10  O   LIG    1        5.330  -0.196   0.127  0.00  0.00    -0.420 OA
ATOM     11  C   LIG    1        6.052   0.703   0.873  0.00  0.00    +0.248 A 
ATOM     12  N   LIG    1        5.279   1.510   1.572  0.00  0.00    -0.107 NA
ATOM     13  N   LIG    1        3.977   1.151   1.294  0.00  0.00    -0.112 NA
BRANCH  11  14
ATOM     14  C   LIG    1        7.504   0.636   0.788  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1        8.155  -0.305  -0.021  0.00  0.00    +0.051 A 
ATOM     16  C   LIG    1        9.546  -0.335  -0.073  0.00  0.00    +0.124 A 
ATOM     17  F   LIG    1       10.153  -1.241  -0.850  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       10.315   0.556   0.665  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        9.683   1.497   1.473  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        8.286   1.536   1.533  0.00  0.00    +0.013 A 
ENDBRANCH  11  14
ENDBRANCH   6   9
BRANCH   2  21
ATOM     21  C   LIG    1       -2.006  -2.178   0.566  0.00  0.00    +0.096 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.536  -2.126   0.524  0.00  0.00    +0.017 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.085  -1.827  -0.876  0.00  0.00    +0.075 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.129  -0.734  -0.845  0.00  0.00    +0.110 A 
ATOM     25  N   LIG    1       -4.676   0.524  -0.551  0.00  0.00    -0.310 N 
ATOM     26  H   LIG    1       -3.691   0.676  -0.329  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -5.495   1.621  -0.473  0.00  0.00    +0.259 A 
ATOM     28  O   LIG    1       -5.085   2.741  -0.191  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -6.919   1.365  -0.751  0.00  0.00    +0.065 A 
ATOM     30  C   LIG    1       -7.293   0.051  -1.046  0.00  0.00    +0.078 A 
ATOM     31  C   LIG    1       -8.638  -0.216  -1.310  0.00  0.00    +0.028 A 
ATOM     32  C   LIG    1       -9.587   0.810  -1.280  0.00  0.00    +0.002 A 
ATOM     33  C   LIG    1       -9.198   2.117  -0.983  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -7.859   2.400  -0.717  0.00  0.00    +0.015 A 
ATOM     35  N   LIG    1       -6.370  -1.009  -1.086  0.00  0.00    -0.234 NA
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 6