REMARK  Name = BDB050242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.353   0.889   0.027  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1       -2.127   1.419   0.102  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -1.074   0.600   0.036  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1       -1.180  -0.731  -0.070  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -2.404  -1.278  -0.124  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -3.528  -0.475  -0.096  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -2.521  -2.660  -0.263  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -3.535  -3.372   0.536  0.00  0.00    +0.134 C 
ATOM      9  C   LIG    1       -2.901  -4.537   1.316  0.00  0.00    +0.178 C 
ATOM     10  O   LIG    1       -2.227  -5.489   0.482  0.00  0.00    -0.377 OA
ATOM     11  C   LIG    1       -1.574  -4.891  -0.650  0.00  0.00    +0.178 C 
ATOM     12  C   LIG    1       -1.263  -3.397  -0.472  0.00  0.00    +0.134 C 
ENDBRANCH   5   7
BRANCH   1  13
ATOM     13  N   LIG    1       -4.508   1.707   0.040  0.00  0.00    -0.283 N 
ATOM     14  H   LIG    1       -5.231   1.290   0.609  0.00  0.00    +0.155 HD
BRANCH  13  20
ATOM     15  C   LIG    1       -6.224   6.348   0.016  0.00  0.00    +0.065 C 
ATOM     16  C   LIG    1       -5.457   5.094  -0.138  0.00  0.00    +0.035 A 
ATOM     17  N   LIG    1       -4.252   5.045  -0.779  0.00  0.00    -0.280 N 
ATOM     18  H   LIG    1       -3.740   5.804  -1.215  0.00  0.00    +0.189 HD
ATOM     19  N   LIG    1       -3.718   3.819  -0.828  0.00  0.00    -0.158 NA
ATOM     20  C   LIG    1       -4.584   3.042  -0.174  0.00  0.00    +0.146 A 
ATOM     21  C   LIG    1       -5.702   3.799   0.263  0.00  0.00    +0.068 A 
ENDBRANCH  13  20
ENDBRANCH   1  13
BRANCH   3  22
ATOM     22  N   LIG    1        0.158   1.247   0.098  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1       -0.018   2.242   0.114  0.00  0.00    +0.155 HD
BRANCH  22  24
ATOM     24  C   LIG    1        1.487   0.830   0.021  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        2.501   1.796   0.101  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        3.858   1.448   0.049  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1        4.238   0.116  -0.081  0.00  0.00    +0.034 A 
ATOM     28  C   LIG    1        3.238  -0.858  -0.154  0.00  0.00    +0.025 A 
ATOM     29  C   LIG    1        1.883  -0.502  -0.100  0.00  0.00    +0.025 A 
BRANCH  27  30
ATOM     30  N   LIG    1        5.575  -0.326  -0.142  0.00  0.00    -0.285 N 
ATOM     31  H   LIG    1        5.703  -1.322  -0.237  0.00  0.00    +0.155 HD
ATOM     32  C   LIG    1        6.720   0.442  -0.087  0.00  0.00    +0.220 C 
ATOM     33  O   LIG    1        6.784   1.658   0.027  0.00  0.00    -0.275 OA
BRANCH  32  34
ATOM     34  C   LIG    1        8.011  -0.312  -0.179  0.00  0.00    +0.075 C 
ATOM     35  C   LIG    1        8.185  -1.534  -1.052  0.00  0.00    +0.013 C 
ATOM     36  C   LIG    1        8.209  -1.675   0.444  0.00  0.00    +0.013 C 
ENDBRANCH  32  34
ENDBRANCH  27  30
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 7