REMARK  Name = BDB021336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.744  -0.745   0.248  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        1.098  -0.210  -0.919  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1       -0.284  -0.241  -0.945  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.684   0.257  -2.163  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.478   0.614  -2.804  0.00  0.00    +0.159 A 
ATOM      6  C   LIG    1       -1.056  -0.742   0.115  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.471  -1.248   1.164  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.575   0.332  -2.028  0.00  0.00    -0.217 NA
ATOM      9  C   LIG    1        0.908  -1.232   1.196  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  N   LIG    1        5.340  -0.743   0.036  0.00  0.00    -0.268 N 
ATOM     11  N   LIG    1        5.255  -0.921   1.371  0.00  0.00    -0.179 NA
ATOM     12  C   LIG    1        3.938  -0.943   1.598  0.00  0.00    +0.143 A 
ATOM     13  C   LIG    1        3.175  -0.781   0.418  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        4.124  -0.656  -0.575  0.00  0.00    +0.117 A 
BRANCH  10  15
ATOM     15  C   LIG    1        6.644  -0.654  -0.598  0.00  0.00    +0.174 C 
BRANCH  15  17
ATOM     16  C   LIG    1        6.917   1.831  -0.040  0.00  0.00    +0.039 C 
ATOM     17  C   LIG    1        7.541   0.442  -0.007  0.00  0.00    +0.133 C 
BRANCH  17  18
ATOM     18  O   LIG    1        7.923   0.133   1.336  0.00  0.00    -0.390 OA
ATOM     19  H   LIG    1        7.105  -0.159   1.798  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH  10  15
ENDBRANCH   1  13
BRANCH   5  20
ATOM     20  C   LIG    1        0.608   1.194  -4.105  0.00  0.00    +0.121 C 
ATOM     21  N   LIG    1        0.689   1.666  -5.164  0.00  0.00    -0.189 NA
ENDBRANCH   5  20
BRANCH   6  22
ATOM     22  N   LIG    1       -2.430  -0.729   0.046  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -2.782  -1.366   0.759  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.131   0.544   0.191  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.592   0.343  -0.076  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.481  -0.111   0.894  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.245  -0.515   2.302  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -6.694  -0.593   2.786  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.560  -0.789   1.646  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.821  -0.324   0.591  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.336  -0.105  -0.671  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.466   0.356  -1.658  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.115   0.573  -1.356  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.304   1.008  -2.332  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 8