REMARK  Name = BDB021315
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.553   0.185   0.542  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        1.949   0.399  -0.733  0.00  0.00    +0.152 A 
ATOM      3  N   LIG    1        0.573   0.520  -0.758  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1        0.210   0.787  -2.058  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.387   0.770  -2.768  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -0.223   0.404   0.395  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.336   0.222   1.559  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.458   0.516  -1.946  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        1.713   0.124   1.599  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.484  -1.630  -1.009  0.00  0.00    +0.173 C 
ATOM     11  N   LIG    1        4.796  -0.713   0.065  0.00  0.00    -0.266 N 
ATOM     12  C   LIG    1        3.954   0.093   0.798  0.00  0.00    +0.074 A 
ATOM     13  C   LIG    1        4.770   0.704   1.732  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1        6.082   0.221   1.495  0.00  0.00    +0.170 A 
ATOM     15  N   LIG    1        6.080  -0.657   0.478  0.00  0.00    -0.164 NA
BRANCH  14  16
ATOM     16  C   LIG    1        7.287   0.600   2.237  0.00  0.00    +0.357 C 
ATOM     17  O   LIG    1        7.312   1.389   3.174  0.00  0.00    -0.243 OA
BRANCH  16  18
ATOM     18  O   LIG    1        8.437   0.010   1.829  0.00  0.00    -0.476 OA
ATOM     19  H   LIG    1        9.113   0.385   2.426  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  14  16
ENDBRANCH   1  12
BRANCH   5  20
ATOM     20  C   LIG    1        1.551   0.982  -4.175  0.00  0.00    +0.121 C 
ATOM     21  N   LIG    1        1.655   1.147  -5.320  0.00  0.00    -0.189 NA
ENDBRANCH   5  20
BRANCH   6  22
ATOM     22  N   LIG    1       -1.592   0.506   0.310  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -1.948   0.674   1.249  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.348  -0.599  -0.271  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.785  -0.200  -0.420  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.703  -0.280   0.624  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.522  -0.702   2.034  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.989  -0.808   2.454  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.789   0.017   1.577  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.016   0.143   0.453  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.476   0.661  -0.741  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -5.576   0.746  -1.802  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.251   0.320  -1.635  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -3.410   0.424  -2.675  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 7