REMARK  Name = BDB021371
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.137  -0.191  -0.496  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.661   1.136  -0.278  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.703   1.340  -0.366  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.932   2.668  -0.088  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.314   3.209   0.132  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.613   0.310  -0.680  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -1.161  -0.896  -0.885  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.296   2.258   0.006  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.197  -1.114  -0.797  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        5.210  -1.274  -0.329  0.00  0.00    +0.143 A 
ATOM     11  N   LIG    1        4.309  -2.138   0.183  0.00  0.00    -0.238 NA
ATOM     12  C   LIG    1        3.013  -1.762   0.123  0.00  0.00    +0.123 A 
ATOM     13  C   LIG    1        2.560  -0.584  -0.443  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        3.573   0.224  -0.928  0.00  0.00    +0.123 A 
ATOM     15  N   LIG    1        4.887  -0.094  -0.898  0.00  0.00    -0.238 NA
BRANCH  10  16
ATOM     16  C   LIG    1        6.688  -1.643  -0.252  0.00  0.00    +0.160 C 
BRANCH  16  18
ATOM     17  C   LIG    1        8.713  -1.887   1.034  0.00  0.00    +0.105 C 
ATOM     18  N   LIG    1        7.353  -1.347   1.044  0.00  0.00    -0.301 NA
ATOM     19  C   LIG    1        7.387   0.094   1.302  0.00  0.00    +0.105 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   1  13
BRANCH   5  20
ATOM     20  C   LIG    1        0.620   4.569   0.457  0.00  0.00    +0.121 C 
ATOM     21  N   LIG    1        0.828   5.683   0.715  0.00  0.00    -0.189 NA
ENDBRANCH   5  20
BRANCH   6  22
ATOM     22  N   LIG    1       -2.955   0.613  -0.754  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.205   1.576  -0.945  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.908  -0.336  -1.305  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.303   0.146  -1.035  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.873   0.099   0.234  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.296  -0.348   1.525  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.573  -0.389   2.364  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.559   0.484   1.767  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.155   0.585   0.462  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.923   1.137  -0.543  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -7.376   1.189  -1.825  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -6.083   0.700  -2.059  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -5.583   0.787  -3.299  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 7