REMARK  Name = BDB004359
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.810  -1.625  -0.184  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1       -1.536  -0.629   0.487  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -2.902  -0.462   0.233  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -3.682   0.583   0.923  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1       -5.097   0.658   0.573  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -5.889   1.618   1.184  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1       -7.246   1.710   0.865  0.00  0.00    +0.014 A 
ATOM      8  C   LIG    1       -7.794   0.829  -0.072  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1       -6.986  -0.136  -0.683  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -5.260   2.518   2.162  0.00  0.00    +0.273 A 
ATOM     11  O   LIG    1       -5.908   3.386   2.734  0.00  0.00    -0.266 OA
ATOM     12  N   LIG    1       -3.915   2.321   2.385  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -3.460   2.931   3.057  0.00  0.00    +0.192 HD
ATOM     14  C   LIG    1       -5.631  -0.222  -0.359  0.00  0.00    +0.138 A 
ATOM     15  O   LIG    1       -4.894  -1.189  -0.994  0.00  0.00    -0.455 OA
ATOM     16  N   LIG    1       -3.126   1.379   1.788  0.00  0.00    -0.170 NA
ATOM     17  C   LIG    1       -3.556  -1.286  -0.685  0.00  0.00    +0.138 A 
ATOM     18  C   LIG    1       -2.842  -2.281  -1.353  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -1.479  -2.450  -1.102  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  20
ATOM     20  C   LIG    1        0.669  -1.821   0.096  0.00  0.00    +0.119 C 
BRANCH  20  24
ATOM     21  N   LIG    1        3.409  -0.099   0.168  0.00  0.00    -0.298 NA
ATOM     22  C   LIG    1        3.732  -1.531   0.093  0.00  0.00    +0.100 C 
ATOM     23  C   LIG    1        2.826  -2.330  -0.884  0.00  0.00    +0.100 C 
ATOM     24  N   LIG    1        1.490  -1.755  -1.128  0.00  0.00    -0.296 NA
ATOM     25  C   LIG    1        1.645  -0.358  -1.602  0.00  0.00    +0.100 C 
ATOM     26  C   LIG    1        2.908   0.405  -1.113  0.00  0.00    +0.100 C 
BRANCH  21  27
ATOM     27  C   LIG    1        4.469   0.716   0.771  0.00  0.00    +0.112 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.739   0.961  -0.061  0.00  0.00    +0.174 C 
BRANCH  28  30
ATOM     29  C   LIG    1        7.859   1.998   0.005  0.00  0.00    +0.194 C 
ATOM     30  O   LIG    1        6.661   1.726   0.722  0.00  0.00    -0.382 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  21  27
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 5