REMARK  Name = BDB043226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.571  -0.530  -0.521  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -0.791  -1.841  -0.651  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -2.050  -2.291  -0.531  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -3.078  -1.416  -0.236  0.00  0.00    +0.087 A 
ATOM      5  C   LIG    1       -2.775  -0.073  -0.108  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1       -1.523   0.367  -0.268  0.00  0.00    -0.199 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.291  -3.660  -0.652  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -3.481  -4.110  -1.399  0.00  0.00    +0.134 C 
ATOM      9  C   LIG    1       -3.097  -5.130  -2.485  0.00  0.00    +0.178 C 
ATOM     10  O   LIG    1       -2.417  -6.284  -1.973  0.00  0.00    -0.377 OA
ATOM     11  C   LIG    1       -1.533  -5.984  -0.880  0.00  0.00    +0.178 C 
ATOM     12  C   LIG    1       -1.099  -4.512  -0.811  0.00  0.00    +0.134 C 
ENDBRANCH   3   7
BRANCH   1  13
ATOM     13  N   LIG    1        0.753  -0.124  -0.652  0.00  0.00    -0.309 N 
ATOM     14  H   LIG    1        1.315  -0.951  -0.491  0.00  0.00    +0.149 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.078   1.011   0.188  0.00  0.00    +0.139 C 
BRANCH  15  19
ATOM     16  C   LIG    1        5.361   1.635   0.049  0.00  0.00    +0.059 A 
ATOM     17  C   LIG    1        4.764   1.101   1.198  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        3.380   0.901   1.245  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        2.575   1.236   0.148  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        3.178   1.763  -1.003  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        4.560   1.963  -1.052  0.00  0.00    +0.015 A 
BRANCH  16  22
ATOM     22  C   LIG    1        6.828   1.869  -0.055  0.00  0.00    +0.339 C 
ATOM     23  O   LIG    1        7.369   2.342  -1.042  0.00  0.00    -0.245 OA
BRANCH  22  25
ATOM     24  C   LIG    1        8.871   1.680   1.060  0.00  0.00    +0.280 C 
ATOM     25  O   LIG    1        7.457   1.487   1.086  0.00  0.00    -0.464 OA
ENDBRANCH  22  25
ENDBRANCH  16  22
ENDBRANCH  15  19
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   5  26
ATOM     26  N   LIG    1       -3.824   0.816   0.226  0.00  0.00    -0.283 N 
ATOM     27  H   LIG    1       -4.640   0.622  -0.338  0.00  0.00    +0.155 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -3.713   2.059   0.751  0.00  0.00    +0.146 A 
ATOM     29  N   LIG    1       -2.713   2.551   1.487  0.00  0.00    -0.158 NA
ATOM     30  N   LIG    1       -3.082   3.805   1.770  0.00  0.00    -0.280 N 
ATOM     31  H   LIG    1       -2.445   4.378   2.313  0.00  0.00    +0.189 HD
ATOM     32  C   LIG    1       -4.311   4.141   1.278  0.00  0.00    +0.035 A 
ATOM     33  C   LIG    1       -4.916   5.472   1.492  0.00  0.00    +0.065 C 
ATOM     34  C   LIG    1       -4.750   3.018   0.614  0.00  0.00    +0.068 A 
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 8