REMARK  Name = BDB049904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.077   1.126   0.512  0.00  0.00    +0.152 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.343   0.837  -0.035  0.00  0.00    +0.231 C 
ATOM      3  N   LIG    1        1.127   0.051   0.794  0.00  0.00    -0.301 N 
ATOM      4  H   LIG    1        0.789  -0.205   1.736  0.00  0.00    +0.150 HD
ATOM      5  O   LIG    1        0.733   1.253  -1.132  0.00  0.00    -0.274 OA
BRANCH   3   6
ATOM      6  C   LIG    1        2.532  -0.237   0.499  0.00  0.00    +0.182 C 
BRANCH   6   7
ATOM      7  C   LIG    1        2.951  -1.392   1.422  0.00  0.00    +0.327 C 
ATOM      8  O   LIG    1        2.449  -1.615   2.514  0.00  0.00    -0.249 OA
BRANCH   7   9
ATOM      9  O   LIG    1        3.950  -2.133   0.864  0.00  0.00    -0.467 OA
ATOM     10  C   LIG    1        4.379  -3.245   1.658  0.00  0.00    +0.280 C 
ENDBRANCH   7   9
ENDBRANCH   6   7
BRANCH   6  11
ATOM     11  C   LIG    1        3.400   1.015   0.738  0.00  0.00    +0.036 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.885   0.900   0.337  0.00  0.00    -0.015 C 
ATOM     13  C   LIG    1        5.066   0.564  -1.145  0.00  0.00    +0.007 C 
ATOM     14  C   LIG    1        5.617   2.212   0.659  0.00  0.00    +0.007 C 
ENDBRANCH  11  12
ENDBRANCH   6  11
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -1.494   2.553   0.106  0.00  0.00    +0.126 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -0.622   3.577   0.809  0.00  0.00    +0.237 C 
ATOM     17  N   LIG    1       -0.732   4.854   0.294  0.00  0.00    -0.197 N 
ATOM     18  H   LIG    1       -1.550   5.145  -0.243  0.00  0.00    +0.182 HD
ATOM     19  O   LIG    1        0.088   3.323   1.784  0.00  0.00    -0.274 OA
BRANCH  17  20
ATOM     20  O   LIG    1       -0.067   5.860   1.033  0.00  0.00    -0.295 OA
ATOM     21  H   LIG    1        0.391   5.341   1.732  0.00  0.00    +0.241 HD
ENDBRANCH  17  20
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   1  22
ATOM     22  N   LIG    1       -1.995   0.026   0.077  0.00  0.00    -0.291 NA
BRANCH  22  23
ATOM     23  C   LIG    1       -3.251   0.035   0.845  0.00  0.00    +0.085 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.058  -1.262   0.696  0.00  0.00    +0.015 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -6.117  -2.506   1.435  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -5.308  -1.235   1.585  0.00  0.00    -0.002 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
BRANCH  22  27
ATOM     27  C   LIG    1       -2.205  -0.037  -1.384  0.00  0.00    +0.085 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.733  -1.398  -1.919  0.00  0.00    +0.015 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.918  -1.484  -3.439  0.00  0.00    -0.002 C 
ATOM     30  C   LIG    1       -1.416  -2.805  -3.991  0.00  0.00    +0.004 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH   1  22
TORSDOF 16