REMARK  Name = BDB021264
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.490  -3.377   0.898  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        1.657  -2.661   0.781  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        1.307  -1.491   0.275  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1       -0.063  -1.421   0.103  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -0.711  -0.281  -0.399  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1       -0.011   0.754  -0.770  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        1.358   0.690  -0.611  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        2.079  -0.344  -0.111  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -0.587  -2.638   0.472  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.515  -0.285   0.019  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        4.367   0.696  -0.448  0.00  0.00    +0.117 A 
ATOM     12  N   LIG    1        5.629   0.329  -0.061  0.00  0.00    -0.263 N 
ATOM     13  N   LIG    1        5.666  -0.858   0.565  0.00  0.00    -0.179 NA
ATOM     14  C   LIG    1        4.382  -1.221   0.633  0.00  0.00    +0.143 A 
BRANCH  12  15
ATOM     15  C   LIG    1        6.841   1.066  -0.430  0.00  0.00    +0.158 C 
ATOM     16  C   LIG    1        6.826   2.531   0.009  0.00  0.00    +0.189 C 
ATOM     17  O   LIG    1        8.137   2.389   0.614  0.00  0.00    -0.375 OA
ATOM     18  C   LIG    1        7.981   0.941   0.586  0.00  0.00    +0.189 C 
ENDBRANCH  12  15
ENDBRANCH   8  10
BRANCH   1  20
ATOM     19  N   LIG    1        0.434  -5.806   1.804  0.00  0.00    -0.189 NA
ATOM     20  C   LIG    1        0.476  -4.719   1.397  0.00  0.00    +0.121 C 
ENDBRANCH   1  20
BRANCH   5  21
ATOM     21  N   LIG    1       -2.081  -0.256  -0.529  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.319   0.518  -1.147  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.901  -0.145   0.673  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.348  -0.288   0.308  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.116   0.773  -0.162  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.743   2.183  -0.436  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.138   2.779  -0.629  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.056   1.722  -0.988  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.443   0.586  -0.529  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.064  -0.645  -0.454  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.316  -1.722   0.019  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.977  -1.538   0.390  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.285  -2.599   0.831  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   5  21
TORSDOF 6