REMARK  Name = BDB013187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.303  -0.595   0.400  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        0.476  -1.474   1.158  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.853  -1.542   0.814  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.400  -2.485   1.635  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.488  -2.924   2.475  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.420  -0.775  -0.208  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.666   0.018  -0.921  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.697  -2.288   2.173  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.675   0.087  -0.589  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        2.695   0.163   3.222  0.00  0.00    +0.068 C 
ATOM     11  C   LIG    1        3.320  -0.066   1.896  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        2.703  -0.407   0.663  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        3.743  -0.529  -0.243  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        3.765  -0.911  -1.679  0.00  0.00    +0.066 C 
ATOM     15  N   LIG    1        4.880  -0.224   0.468  0.00  0.00    -0.265 N 
ATOM     16  N   LIG    1        4.644   0.068   1.759  0.00  0.00    -0.176 NA
BRANCH  15  17
ATOM     17  C   LIG    1        6.249  -0.188  -0.004  0.00  0.00    +0.174 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.617   1.126  -0.697  0.00  0.00    +0.133 C 
ATOM     19  C   LIG    1        6.650   2.322   0.247  0.00  0.00    +0.039 C 
BRANCH  18  20
ATOM     20  O   LIG    1        7.906   0.993  -1.311  0.00  0.00    -0.390 OA
ATOM     21  H   LIG    1        8.578   1.003  -0.608  0.00  0.00    +0.210 HD
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  22
ATOM     22  N   LIG    1       -2.767  -0.855  -0.487  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.914  -0.428  -1.401  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.710  -0.253   0.453  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.105  -0.357  -0.087  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.623   0.549  -1.009  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.989   1.714  -1.674  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.233   2.363  -2.285  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.268   1.362  -2.420  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.911   0.399  -1.511  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.734  -0.644  -1.135  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.236  -1.562  -0.210  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.939  -1.415   0.300  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.490  -2.324   1.179  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 7