REMARK  Name = BDB001838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.586  -0.771  -0.519  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -0.301  -1.595   0.575  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1        0.998  -2.060   0.802  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        2.041  -1.696  -0.057  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1        1.762  -0.856  -1.142  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        0.461  -0.396  -1.368  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.557  -0.132  -1.896  0.00  0.00    -0.008 C 
ATOM      8  C   LIG    1       -1.959  -0.285  -0.702  0.00  0.00    +0.005 C 
BRANCH   7   9
ATOM      9  C   LIG    1       -3.962   0.346  -2.159  0.00  0.00    +0.132 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -5.587  -0.550  -0.517  0.00  0.00    +0.129 C 
ATOM     11  N   LIG    1       -4.717   0.550  -0.919  0.00  0.00    -0.329 N 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.982   1.850  -0.485  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -6.153   2.190   0.214  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1       -6.402   3.495   0.657  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -5.475   4.502   0.422  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -4.298   4.199  -0.249  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.059   2.891  -0.690  0.00  0.00    +0.023 A 
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   7   9
ENDBRANCH   1   8
BRANCH   4  18
ATOM     18  C   LIG    1        3.455  -2.168   0.199  0.00  0.00    +0.071 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.245  -1.182   1.078  0.00  0.00    +0.199 C 
BRANCH  19  20
ATOM     20  N   LIG    1        5.643  -1.111   0.641  0.00  0.00    -0.339 N 
ATOM     21  C   LIG    1        6.575  -2.108   0.763  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1        7.772  -1.633   0.272  0.00  0.00    +0.019 A 
ATOM     23  C   LIG    1        7.553  -0.306  -0.165  0.00  0.00    +0.019 A 
ATOM     24  C   LIG    1        6.229  -0.008   0.072  0.00  0.00    +0.086 A 
ENDBRANCH  19  20
BRANCH  19  25
ATOM     25  C   LIG    1        4.148  -1.510   2.566  0.00  0.00    +0.328 C 
ATOM     26  O   LIG    1        3.370  -2.318   3.054  0.00  0.00    -0.249 OA
BRANCH  25  27
ATOM     27  O   LIG    1        4.979  -0.786   3.360  0.00  0.00    -0.479 OA
ATOM     28  H   LIG    1        5.605  -0.203   2.885  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  19  25
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 9