REMARK  Name = BDB036222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.054  -0.557   0.023  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        2.073  -0.427   1.114  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.661  -0.122   0.556  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.139  -1.086  -0.436  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        1.232  -1.859  -1.062  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        2.537  -1.054  -1.264  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        7.150  -0.177   0.746  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        6.340  -0.369   1.806  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        5.019  -0.494   1.541  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        4.245  -0.708   2.620  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        4.418  -0.442   0.264  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        5.319  -0.236  -0.792  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        6.690  -0.103  -0.562  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1       10.654   1.249   0.633  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        9.280   0.942   0.324  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        8.730   1.660  -0.129  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        8.611  -0.041   1.041  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        9.160  -0.753   1.875  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -0.882  -1.992   0.105  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.216  -1.315   0.311  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.017  -0.983  -0.786  0.00  0.00    +0.153 A 
ATOM     22  F   LIG    1       -2.615  -1.292  -2.030  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1       -4.246  -0.345  -0.611  0.00  0.00    +0.104 A 
ATOM     24  C   LIG    1       -4.707  -0.029   0.670  0.00  0.00    +0.091 A 
ATOM     25  N   LIG    1       -5.938   0.612   0.891  0.00  0.00    -0.244 NA
ATOM     26  C   LIG    1       -6.673   0.920  -0.141  0.00  0.00    +0.109 A 
ATOM     27  C   LIG    1       -6.246   0.609  -1.585  0.00  0.00    +0.271 A 
ATOM     28  O   LIG    1       -6.946   0.905  -2.541  0.00  0.00    -0.266 OA
ATOM     29  C   LIG    1       -3.915  -0.364   1.770  0.00  0.00    +0.030 A 
ATOM     30  N   LIG    1       -5.034  -0.018  -1.719  0.00  0.00    -0.317 N 
ATOM     31  H   LIG    1       -4.711  -0.239  -2.653  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1       -2.681  -1.002   1.597  0.00  0.00    +0.010 A 
BRANCH  26  33
ATOM     33  C   LIG    1       -8.008   1.615   0.095  0.00  0.00    +0.037 C 
ATOM     34  C   LIG    1       -9.180   0.759  -0.370  0.00  0.00    +0.014 C 
ATOM     35  C   LIG    1       -8.033   3.012  -0.514  0.00  0.00    +0.014 C 
ENDBRANCH  26  33
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5