REMARK  Name = BDB004837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.338  -0.898   0.354  0.00  0.00    -0.320 N 
ATOM      2  H   LIG    1       -0.127  -0.075   0.750  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        1.468  -0.427  -0.353  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1        2.424   0.358   0.327  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        3.524   0.810  -0.427  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1        4.482   1.610   0.233  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1        4.351   1.936   1.597  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        3.273   1.473   2.333  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.639   0.477  -1.732  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        2.687  -0.295  -2.269  0.00  0.00    +0.223 A 
ATOM     11  C   LIG    1        2.318   0.688   1.702  0.00  0.00    +0.013 A 
ATOM     12  N   LIG    1        1.609  -0.762  -1.645  0.00  0.00    -0.220 NA
BRANCH   6  13
ATOM     13  C   LIG    1        5.694   2.166  -0.447  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        6.510   2.856   0.156  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1        5.883   1.893  -1.768  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        6.708   2.248  -2.231  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        5.228   1.306  -2.277  0.00  0.00    +0.145 HD
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -0.692  -1.602  -0.439  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.466  -2.598   0.431  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1       -2.511  -3.351  -0.136  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.229  -4.278   0.624  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -2.906  -4.482   1.963  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -1.860  -3.767   2.538  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -1.142  -2.840   1.777  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -1.610  -0.518  -1.118  0.00  0.00    +0.111 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -1.896   0.679  -0.265  0.00  0.00    -0.301 NA
ATOM     27  C   LIG    1       -2.959   0.390   0.702  0.00  0.00    +0.105 C 
BRANCH  26  29
ATOM     28  C   LIG    1       -2.044   3.159  -0.263  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -2.163   1.876  -1.097  0.00  0.00    +0.050 C 
ATOM     30  C   LIG    1       -3.494   1.860  -1.858  0.00  0.00    +0.024 C 
ENDBRANCH  26  29
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH   1  18
TORSDOF 7