REMARK  Name = BDB026695
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.889  -2.700   1.259  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        2.542  -3.034   1.447  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.553  -2.126   1.039  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        0.199  -2.260   1.109  0.00  0.00    -0.226 NA
ATOM      5  C   LIG    1       -0.315  -1.135   0.633  0.00  0.00    +0.165 A 
ATOM      6  N   LIG    1        0.697  -0.292   0.161  0.00  0.00    -0.291 N 
ATOM      7  C   LIG    1        1.911  -0.912   0.462  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        3.258  -0.588   0.216  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        4.238  -1.498   0.633  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        0.553   0.930  -0.562  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -0.415   1.040  -1.570  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1       -0.565   2.241  -2.274  0.00  0.00    -0.024 A 
ATOM     13  C   LIG    1       -1.534   2.355  -3.417  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -2.033   3.782  -3.572  0.00  0.00    +0.101 C 
ATOM     15  C   LIG    1       -0.902   4.785  -3.544  0.00  0.00    +0.218 C 
ATOM     16  N   LIG    1        0.130   4.518  -2.685  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1        0.811   5.258  -2.575  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -0.940   5.836  -4.179  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        0.270   3.322  -1.976  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        1.251   3.212  -0.993  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1        1.389   2.018  -0.280  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1       -1.749  -0.825   0.689  0.00  0.00    +0.110 A 
ATOM     23  N   LIG    1       -2.079   0.473   0.881  0.00  0.00    -0.249 NA
ATOM     24  C   LIG    1       -3.392   0.788   0.958  0.00  0.00    +0.042 A 
ATOM     25  C   LIG    1       -3.736   2.235   1.149  0.00  0.00    +0.066 C 
ATOM     26  C   LIG    1       -4.401  -0.165   0.861  0.00  0.00    +0.068 A 
ATOM     27  C   LIG    1       -4.045  -1.498   0.682  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -2.698  -1.833   0.600  0.00  0.00    +0.077 A 
BRANCH  27  29
ATOM     29  O   LIG    1       -4.908  -2.553   0.571  0.00  0.00    -0.495 OA
ATOM     30  C   LIG    1       -6.295  -2.273   0.717  0.00  0.00    +0.277 C 
ENDBRANCH  27  29
ENDBRANCH   5  22
BRANCH   1  34
ATOM     31  C   LIG    1        7.151  -3.995   2.660  0.00  0.00    +0.128 C 
ATOM     32  N   LIG    1        6.132  -3.144   2.096  0.00  0.00    -0.314 N 
ATOM     33  H   LIG    1        6.179  -2.156   2.303  0.00  0.00    +0.149 HD
ATOM     34  C   LIG    1        4.921  -3.677   1.699  0.00  0.00    +0.244 C 
ATOM     35  O   LIG    1        4.666  -4.875   1.727  0.00  0.00    -0.270 OA
ENDBRANCH   1  34
TORSDOF 4