REMARK  Name = BDB014748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.097  -0.036   0.263  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1        0.124  -0.913  -0.190  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -2.657  -4.891  -0.699  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -3.890  -4.022  -0.732  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -3.718  -2.667  -0.477  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.385  -2.029  -0.472  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.435  -0.693   0.178  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.404   0.223   0.520  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.923   1.313   1.095  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -3.254   1.110   1.120  0.00  0.00    -0.266 N 
ATOM     11  C   LIG    1       -3.607  -0.082   0.571  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -4.959  -0.668   0.422  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -4.893  -1.784  -0.641  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -4.989  -4.525  -0.965  0.00  0.00    -0.276 OA
BRANCH  10  15
ATOM     15  C   LIG    1       -4.119   2.120   1.717  0.00  0.00    +0.147 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.403   3.245   0.766  0.00  0.00    +0.010 C 
ATOM     17  C   LIG    1       -5.639   3.251  -0.100  0.00  0.00    +0.005 C 
ATOM     18  C   LIG    1       -5.527   4.210   1.054  0.00  0.00    +0.005 C 
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   1   8
BRANCH   1  19
ATOM     19  C   LIG    1        1.079   0.702   0.535  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        2.313   0.185   0.093  0.00  0.00    +0.031 A 
ATOM     21  C   LIG    1        3.533   0.853   0.317  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1        3.500   2.074   1.002  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        2.290   2.607   1.443  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        1.094   1.925   1.208  0.00  0.00    +0.023 A 
BRANCH  21  25
ATOM     25  C   LIG    1        4.804   0.284  -0.157  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1        4.995  -0.030  -1.512  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1        6.202  -0.572  -1.964  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1        7.248  -0.822  -1.068  0.00  0.00    -0.022 A 
ATOM     29  C   LIG    1        7.072  -0.500   0.283  0.00  0.00    +0.006 A 
ATOM     30  C   LIG    1        5.864   0.043   0.731  0.00  0.00    +0.009 A 
BRANCH  28  31
ATOM     31  C   LIG    1        8.559  -1.372  -1.559  0.00  0.00    +0.191 C 
BRANCH  31  32
ATOM     32  O   LIG    1        9.418  -0.322  -1.981  0.00  0.00    -0.390 OA
ATOM     33  H   LIG    1        8.962   0.521  -1.813  0.00  0.00    +0.210 HD
ENDBRANCH  31  32
ENDBRANCH  28  31
ENDBRANCH  21  25
ENDBRANCH   1  19
TORSDOF 7