REMARK  Name = BDB012675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.399  -0.292  -1.655  0.00  0.00    -0.262 N 
ATOM      2  C   LIG    1       -0.549  -1.552  -1.130  0.00  0.00    +0.071 A 
ATOM      3  C   LIG    1       -1.679  -1.464  -0.316  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -2.102  -2.607   0.392  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -1.375  -3.787   0.249  0.00  0.00    +0.124 A 
ATOM      6  C   LIG    1       -0.255  -3.862  -0.569  0.00  0.00    +0.040 A 
ATOM      7  F   LIG    1       -1.769  -4.880   0.917  0.00  0.00    -0.205 F 
ATOM      8  C   LIG    1       -2.133  -0.115  -0.442  0.00  0.00    +0.153 A 
ATOM      9  C   LIG    1        0.183  -2.741  -1.280  0.00  0.00    +0.031 A 
ATOM     10  N   LIG    1       -1.350   0.577  -1.270  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1       -3.228   0.333   0.219  0.00  0.00    -0.296 N 
ATOM     12  H   LIG    1       -3.717  -0.343   0.811  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -3.855   1.602   0.258  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1       -5.014   1.827   1.033  0.00  0.00    +0.083 A 
ATOM     15  C   LIG    1       -5.624   3.089   1.059  0.00  0.00    +0.036 A 
ATOM     16  C   LIG    1       -5.066   4.103   0.310  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -3.965   3.944  -0.444  0.00  0.00    -0.261 NA
ATOM     18  C   LIG    1       -3.392   2.710  -0.452  0.00  0.00    +0.134 A 
BRANCH  14  19
ATOM     19  C   LIG    1       -5.598   0.718   1.833  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -5.156  -0.417   1.897  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -6.702   1.072   2.515  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -6.972   0.255   2.986  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH  14  19
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  23
ATOM     23  C   LIG    1        0.637   0.171  -2.561  0.00  0.00    +0.144 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.596   1.185  -1.931  0.00  0.00    +0.023 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.405   0.664  -0.737  0.00  0.00    +0.003 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.434  -0.402  -1.119  0.00  0.00    +0.015 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.189  -1.004   0.076  0.00  0.00    +0.084 C 
BRANCH  27  29
ATOM     28  C   LIG    1        4.443   0.399   2.038  0.00  0.00    +0.104 C 
ATOM     29  N   LIG    1        5.027  -0.004   0.755  0.00  0.00    -0.308 NA
ATOM     30  C   LIG    1        6.382  -0.511   0.974  0.00  0.00    +0.104 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 10