REMARK  Name = BDB030321
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.531  -2.112   2.429  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   1   8
ATOM      2  C   LIG    1        4.950   0.281  -2.003  0.00  0.00    +0.124 A 
ATOM      3  C   LIG    1        4.495  -1.036  -1.953  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1        3.651  -1.509  -0.925  0.00  0.00    +0.136 A 
ATOM      5  O   LIG    1        3.365  -2.829  -1.115  0.00  0.00    -0.490 OA
ATOM      6  C   LIG    1        2.842  -3.562  -0.023  0.00  0.00    +0.248 C 
ATOM      7  C   LIG    1        1.454  -3.071   0.325  0.00  0.00    +0.149 C 
ATOM      8  N   LIG    1        1.522  -2.035   1.343  0.00  0.00    -0.292 N 
ATOM      9  C   LIG    1        2.296  -0.885   1.231  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        2.206  -0.006   2.095  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        3.224  -0.630   0.076  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1        3.701   0.703   0.010  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        4.551   1.155  -1.007  0.00  0.00    +0.046 A 
BRANCH   2  15
ATOM     14  C   LIG    1        6.259   1.904  -3.141  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        5.765   0.573  -3.058  0.00  0.00    -0.495 OA
ENDBRANCH   2  15
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1       -0.894  -1.677   2.039  0.00  0.00    +0.146 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -1.451  -2.585   1.074  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -2.182  -2.077   0.662  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -0.980  -0.238   1.486  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.359   0.078   1.032  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -2.318   1.254   0.132  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -3.686   1.761  -0.271  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -4.822   1.459   0.500  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -6.074   1.966   0.125  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -6.193   2.789  -0.995  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -5.067   3.106  -1.749  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.701   0.541   1.688  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -3.818   2.598  -1.388  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.251   0.381   2.166  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6