REMARK  Name = BDB046901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.210   0.511   0.484  0.00  0.00    -0.220 N 
ATOM      2  N   LIG    1        3.348  -0.138   1.670  0.00  0.00    -0.173 NA
ATOM      3  C   LIG    1        2.372   0.338   2.440  0.00  0.00    +0.138 A 
ATOM      4  C   LIG    1        1.587   1.314   1.799  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1        2.156   1.411   0.548  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  10
ATOM      6  O   LIG    1        7.609  -1.803  -2.965  0.00  0.00    -0.267 OA
ATOM      7  C   LIG    1        6.932  -1.671  -1.953  0.00  0.00    +0.259 A 
ATOM      8  C   LIG    1        5.814  -0.711  -1.878  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        5.092  -0.623  -0.678  0.00  0.00    +0.122 A 
ATOM     10  C   LIG    1        4.042   0.307  -0.670  0.00  0.00    +0.180 A 
ATOM     11  N   LIG    1        3.733   1.088  -1.763  0.00  0.00    -0.234 NA
ATOM     12  C   LIG    1        4.467   0.953  -2.884  0.00  0.00    +0.114 A 
ATOM     13  N   LIG    1        5.439  -1.440   0.418  0.00  0.00    -0.233 NA
ATOM     14  C   LIG    1        6.419  -2.263   0.306  0.00  0.00    +0.200 A 
ATOM     15  C   LIG    1        5.515   0.071  -2.993  0.00  0.00    +0.035 A 
ATOM     16  N   LIG    1        7.165  -2.405  -0.823  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        7.927  -3.066  -0.861  0.00  0.00    +0.170 HD
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1        0.425   2.070   2.348  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.829   1.207   2.594  0.00  0.00    +0.089 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.418   0.584   1.395  0.00  0.00    -0.302 NA
ATOM     21  C   LIG    1       -1.818   1.569   0.382  0.00  0.00    +0.085 C 
ATOM     22  C   LIG    1       -2.852   1.013  -0.595  0.00  0.00    +0.023 C 
ATOM     23  C   LIG    1       -4.156   0.674   0.148  0.00  0.00    +0.022 C 
ATOM     24  C   LIG    1       -3.887   0.148   1.571  0.00  0.00    +0.023 C 
ATOM     25  C   LIG    1       -2.466  -0.389   1.732  0.00  0.00    +0.085 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -5.047  -0.249  -0.663  0.00  0.00    -0.041 A 
ATOM     27  C   LIG    1       -6.311   0.184  -1.079  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -7.110  -0.680  -1.814  0.00  0.00    +0.111 A 
ATOM     29  N   LIG    1       -6.744  -1.932  -2.160  0.00  0.00    -0.263 NA
ATOM     30  C   LIG    1       -5.523  -2.335  -1.752  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1       -4.654  -1.545  -1.014  0.00  0.00    +0.023 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 5