REMARK  Name = BDB004894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.104   1.176  -0.972  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        3.195   0.775   0.030  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.990   0.181  -0.389  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.090  -0.208   0.626  0.00  0.00    +0.133 A 
ATOM      5  N   LIG    1        1.363  -0.046   1.931  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        2.531   0.519   2.227  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        1.732  -0.019  -1.768  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        2.640   0.380  -2.738  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.449   0.941   1.349  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        3.823   0.980  -2.339  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   4  11
ATOM     11  N   LIG    1       -0.166  -0.771   0.269  0.00  0.00    -0.310 N 
ATOM     12  C   LIG    1       -1.155   0.314   0.129  0.00  0.00    +0.142 C 
ATOM     13  C   LIG    1       -2.543  -0.239  -0.150  0.00  0.00    -0.025 A 
ATOM     14  C   LIG    1       -2.871  -1.581   0.134  0.00  0.00    -0.041 A 
ATOM     15  C   LIG    1       -4.167  -2.057  -0.114  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -5.150  -1.204  -0.618  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1       -4.831   0.132  -0.881  0.00  0.00    +0.127 A 
ATOM     18  C   LIG    1       -1.811  -2.532   0.643  0.00  0.00    +0.054 C 
ATOM     19  C   LIG    1       -3.537   0.619  -0.648  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -0.607  -1.791   1.234  0.00  0.00    +0.111 C 
BRANCH  17  21
ATOM     21  N   LIG    1       -5.863   1.035  -1.407  0.00  0.00    +0.056 N 
ATOM     22  O   LIG    1       -6.994   0.568  -1.605  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1       -5.543   2.213  -1.622  0.00  0.00    -0.126 OA
ENDBRANCH  17  21
ENDBRANCH   4  11
BRANCH   1  27
ATOM     24  N   LIG    1        5.751   2.058   0.629  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1        5.132   1.774   1.383  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        6.642   2.482   0.840  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1        5.418   1.828  -0.673  0.00  0.00    +0.244 C 
ATOM     28  O   LIG    1        6.191   2.156  -1.567  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3