REMARK  Name = BDB005221
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.167  -2.164   2.342  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -1.924  -1.145   1.497  0.00  0.00    +0.104 C 
ATOM      3  N   LIG    1       -1.244  -0.835   0.251  0.00  0.00    -0.288 N 
ATOM      4  C   LIG    1       -1.986  -1.182  -0.866  0.00  0.00    +0.248 C 
ATOM      5  O   LIG    1       -1.648  -1.056  -2.028  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1       -3.281  -1.717  -0.400  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -4.398  -2.191  -1.080  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -5.478  -2.635  -0.287  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -5.439  -2.595   1.117  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.312  -2.113   1.774  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1       -3.238  -1.685   1.007  0.00  0.00    -0.014 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.067  -0.179   0.223  0.00  0.00    +0.079 C 
ATOM     13  C   LIG    1        1.160  -1.096  -0.349  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1        2.287  -0.313  -1.029  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1        2.535   0.936  -0.309  0.00  0.00    -0.297 NA
ATOM     16  C   LIG    1        1.398   1.863  -0.422  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1        0.038   1.159  -0.517  0.00  0.00    +0.038 C 
BRANCH  15  18
ATOM     18  C   LIG    1        3.811   1.553  -0.725  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.269   2.712   0.148  0.00  0.00    +0.055 A 
ATOM     20  N   LIG    1        4.905   2.412   1.311  0.00  0.00    -0.259 NA
ATOM     21  C   LIG    1        5.302   3.442   2.088  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        5.103   4.773   1.766  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        4.455   5.069   0.573  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        4.031   4.028  -0.248  0.00  0.00    +0.024 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  25
ATOM     25  C   LIG    1       -4.596  -2.287  -2.555  0.00  0.00    +0.242 C 
ATOM     26  O   LIG    1       -5.567  -2.881  -3.017  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1       -3.712  -1.704  -3.406  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1       -3.838  -1.869  -4.395  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -2.810  -1.333  -3.112  0.00  0.00    +0.145 HD
ENDBRANCH   7  25
TORSDOF 4