REMARK  Name = BDB004755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.457  -0.651   1.619  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        2.109  -0.468   1.345  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        1.666  -0.008   0.076  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        2.597   0.296  -0.934  0.00  0.00    +0.088 A 
ATOM      5  N   LIG    1        2.178   0.760  -2.132  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1        0.863   0.922  -2.315  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1       -0.091   0.646  -1.432  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        3.961   0.098  -0.640  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1        0.303   0.180  -0.240  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        4.377  -0.373   0.620  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        5.059   0.367  -1.621  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.237   0.175  -1.339  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        4.728   0.839  -2.856  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        5.463   1.038  -3.519  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        3.759   1.019  -3.103  0.00  0.00    +0.145 HD
ENDBRANCH   8  11
BRANCH   1  17
ATOM     16  C   LIG    1        3.093  -1.327   3.871  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        3.992  -1.088   2.795  0.00  0.00    -0.495 OA
ENDBRANCH   1  17
BRANCH   9  18
ATOM     18  N   LIG    1       -0.671  -0.138   0.734  0.00  0.00    -0.320 N 
ATOM     19  H   LIG    1       -0.558  -1.139   0.919  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.103   0.062   0.412  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.457   1.517   0.130  0.00  0.00    -0.023 A 
ATOM     22  C   LIG    1       -2.107   2.498   1.076  0.00  0.00    +0.043 A 
ATOM     23  C   LIG    1       -2.430   3.833   0.864  0.00  0.00    +0.124 A 
ATOM     24  F   LIG    1       -2.087   4.750   1.778  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -3.108   4.231  -0.280  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -3.466   3.276  -1.229  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -3.144   1.929  -1.025  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
BRANCH  20  28
ATOM     28  C   LIG    1       -2.595  -1.034  -0.589  0.00  0.00    +0.110 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -2.187  -2.416  -0.197  0.00  0.00    -0.306 NA
ATOM     30  C   LIG    1       -2.337  -3.317  -1.343  0.00  0.00    +0.104 C 
ATOM     31  C   LIG    1       -2.988  -2.913   0.925  0.00  0.00    +0.104 C 
ENDBRANCH  28  29
ENDBRANCH  20  28
ENDBRANCH  18  20
ENDBRANCH   9  18
TORSDOF 7