REMARK  Name = BDB001833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.555   0.840  -0.424  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1        0.221  -0.234   0.403  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.088  -0.380   0.867  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.076   0.546   0.508  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -1.732   1.623  -0.321  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.422   1.768  -0.785  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.030   1.094  -1.278  0.00  0.00    -0.078 C 
ATOM      8  C   LIG    1        1.897   0.986  -0.895  0.00  0.00    -0.065 C 
BRANCH   7   9
ATOM      9  C   LIG    1        4.426   1.214  -1.733  0.00  0.00    +0.195 C 
BRANCH   9  11
ATOM     10  C   LIG    1        5.361   2.221   0.335  0.00  0.00    +0.131 C 
ATOM     11  N   LIG    1        5.379   1.125  -0.623  0.00  0.00    -0.307 N 
BRANCH  11  12
ATOM     12  C   LIG    1        5.697  -0.161  -0.188  0.00  0.00    +0.122 A 
ATOM     13  N   LIG    1        5.304  -1.215  -0.940  0.00  0.00    -0.240 NA
ATOM     14  C   LIG    1        5.620  -2.469  -0.543  0.00  0.00    +0.113 A 
ATOM     15  C   LIG    1        6.342  -2.756   0.596  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        6.766  -1.688   1.367  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        6.447  -0.388   0.970  0.00  0.00    +0.044 A 
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   1   8
BRANCH   4  18
ATOM     18  C   LIG    1       -3.499   0.378   0.993  0.00  0.00    +0.071 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -4.430  -0.212  -0.077  0.00  0.00    +0.199 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -5.839  -0.049   0.287  0.00  0.00    -0.339 N 
ATOM     21  C   LIG    1       -6.454  -0.583   1.392  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1       -7.770  -0.175   1.387  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1       -7.957   0.636   0.244  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1       -6.749   0.701  -0.416  0.00  0.00    +0.086 A 
ENDBRANCH  19  20
BRANCH  19  25
ATOM     25  C   LIG    1       -4.136  -1.659  -0.417  0.00  0.00    +0.328 C 
ATOM     26  O   LIG    1       -4.231  -2.164  -1.527  0.00  0.00    -0.249 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -3.795  -2.435   0.633  0.00  0.00    -0.479 OA
ATOM     28  H   LIG    1       -3.693  -3.327   0.237  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  19  25
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 9