REMARK  Name = BDB021491
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.183  -1.783  -0.316  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        3.361  -0.712  -0.645  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        1.990  -0.880  -0.958  0.00  0.00    +0.136 A 
ATOM      4  O   LIG    1        1.424   0.328  -1.250  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        0.137   0.354  -1.841  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -0.897  -0.228  -0.901  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -1.056  -1.650  -1.155  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1       -0.008  -2.562  -1.165  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -0.243  -3.760  -1.346  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.417  -2.156  -0.920  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        2.268  -3.235  -0.590  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        3.622  -3.053  -0.296  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1        5.506  -1.754  -0.002  0.00  0.00    -0.487 OA
BRANCH  13  18
ATOM     14  C   LIG    1        6.414   4.214   0.276  0.00  0.00    +0.109 C 
ATOM     15  C   LIG    1        5.973   2.980   1.017  0.00  0.00    +0.213 C 
ATOM     16  N   LIG    1        6.158   1.778   0.372  0.00  0.00    -0.298 N 
ATOM     17  C   LIG    1        5.848   0.520   1.036  0.00  0.00    +0.152 C 
ATOM     18  C   LIG    1        6.283  -0.565   0.048  0.00  0.00    +0.192 C 
ATOM     19  C   LIG    1        6.487   0.144  -1.294  0.00  0.00    +0.065 C 
ATOM     20  C   LIG    1        6.852   1.562  -0.887  0.00  0.00    +0.111 C 
ATOM     21  O   LIG    1        5.466   3.056   2.135  0.00  0.00    -0.276 OA
ENDBRANCH  13  18
ENDBRANCH   1  13
BRANCH   7  22
ATOM     22  C   LIG    1       -2.425  -2.172  -1.225  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.939  -2.796   0.088  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -4.188  -3.469  -0.140  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1       -3.998  -4.198  -0.757  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1       -3.088  -1.791   1.257  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.773  -0.513   0.956  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -5.192  -0.734   0.602  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -6.000   0.546   0.490  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -5.553   1.742   1.078  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -6.332   2.902   0.977  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -7.560   2.871   0.318  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -8.017   1.683  -0.248  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.213   1.784   1.762  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -7.242   0.526  -0.161  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1       -3.696   0.386   2.121  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 7