REMARK  Name = BDB022905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.547  -2.134   4.144  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -1.321  -1.922   3.253  0.00  0.00    +0.078 C 
ATOM      3  N   LIG    1       -1.522  -2.070   1.797  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -2.546  -1.324   1.197  0.00  0.00    +0.220 C 
ATOM      5  O   LIG    1       -3.448  -0.815   1.870  0.00  0.00    -0.275 OA
ATOM      6  C   LIG    1       -0.236  -2.298   1.123  0.00  0.00    +0.163 C 
ATOM      7  C   LIG    1        0.732  -1.166   1.427  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        0.543  -0.380   2.560  0.00  0.00    -0.005 A 
ATOM      9  C   LIG    1        1.463   0.625   2.733  0.00  0.00    +0.120 A 
ATOM     10  N   LIG    1        2.514   0.815   1.919  0.00  0.00    -0.223 NA
ATOM     11  C   LIG    1        2.650  -0.028   0.889  0.00  0.00    +0.216 A 
ATOM     12  N   LIG    1        1.787  -1.011   0.601  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -0.620  -0.570   3.506  0.00  0.00    +0.060 C 
ENDROOT
BRANCH   4  14
ATOM     14  C   LIG    1       -2.590  -1.206  -0.332  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -3.218   0.146  -0.756  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -3.486   0.159  -2.276  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -4.311  -0.987  -2.692  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -4.616  -0.908  -4.120  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -3.650  -2.256  -2.377  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -3.404  -2.383  -0.876  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -2.336   1.315  -0.327  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -1.065   1.530  -0.877  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -0.262   2.581  -0.427  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -0.715   3.427   0.581  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -1.965   3.222   1.141  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.771   2.175   0.690  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   4  14
BRANCH  11  27
ATOM     27  N   LIG    1        3.762   0.057   0.071  0.00  0.00    -0.309 N 
ATOM     28  H   LIG    1        3.587  -0.520  -0.742  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        4.183   1.409  -0.220  0.00  0.00    +0.139 C 
BRANCH  29  30
ATOM     30  C   LIG    1        5.394   1.370  -1.121  0.00  0.00    -0.030 A 
ATOM     31  C   LIG    1        6.658   1.105  -0.565  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        7.788   1.063  -1.370  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        7.668   1.270  -2.741  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        6.418   1.525  -3.305  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        5.284   1.571  -2.500  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  11  27
TORSDOF 5