REMARK  Name = BDB022888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.137   0.384  -1.331  0.00  0.00    +0.216 A 
ATOM      2  N   LIG    1        2.989  -0.295  -1.444  0.00  0.00    -0.218 NA
ATOM      3  C   LIG    1        1.882   0.235  -0.874  0.00  0.00    +0.067 A 
ATOM      4  C   LIG    1        0.595  -0.547  -1.020  0.00  0.00    +0.163 C 
ATOM      5  N   LIG    1       -0.555   0.001  -0.279  0.00  0.00    -0.292 N 
ATOM      6  C   LIG    1       -0.616   1.470  -0.197  0.00  0.00    +0.078 C 
ATOM      7  C   LIG    1        0.680   2.024   0.423  0.00  0.00    +0.060 C 
ATOM      8  C   LIG    1       -0.910   2.100  -1.565  0.00  0.00    +0.028 C 
ATOM      9  C   LIG    1       -1.590  -0.889  -0.032  0.00  0.00    +0.220 C 
ATOM     10  O   LIG    1       -1.505  -2.063  -0.416  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        1.905   1.447  -0.211  0.00  0.00    -0.005 A 
ATOM     12  C   LIG    1        3.136   2.055  -0.131  0.00  0.00    +0.120 A 
ATOM     13  N   LIG    1        4.254   1.546  -0.679  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   9  14
ATOM     14  C   LIG    1       -2.829  -0.510   0.785  0.00  0.00    +0.085 C 
ATOM     15  C   LIG    1       -3.830   0.454   0.115  0.00  0.00    +0.045 C 
ATOM     16  C   LIG    1       -5.020   0.706   1.073  0.00  0.00    +0.093 C 
ATOM     17  N   LIG    1       -4.564   1.187   2.390  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1       -5.717   1.504   3.237  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -3.714   0.185   3.047  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -2.462  -0.085   2.214  0.00  0.00    +0.029 C 
BRANCH  15  21
ATOM     21  C   LIG    1       -4.365   0.030  -1.250  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.547  -1.310  -1.619  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -5.057  -1.642  -2.878  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.403  -0.641  -3.782  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.242   0.695  -3.429  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.731   1.027  -2.173  0.00  0.00    +0.004 A 
ENDBRANCH  15  21
ENDBRANCH   9  14
BRANCH   1  27
ATOM     27  N   LIG    1        5.234  -0.194  -1.945  0.00  0.00    -0.306 N 
ATOM     28  H   LIG    1        4.966  -1.145  -2.170  0.00  0.00    +0.149 HD
BRANCH  27  29
ATOM     29  C   LIG    1        6.482  -0.098  -1.203  0.00  0.00    +0.178 C 
BRANCH  29  33
ATOM     30  C   LIG    1        9.220  -2.905   1.622  0.00  0.00    +0.086 C 
ATOM     31  C   LIG    1        7.920  -2.366   1.178  0.00  0.00    +0.102 A 
ATOM     32  O   LIG    1        7.958  -1.464   0.159  0.00  0.00    -0.463 OA
ATOM     33  C   LIG    1        6.670  -1.090  -0.100  0.00  0.00    +0.122 A 
ATOM     34  C   LIG    1        5.813  -1.749   0.759  0.00  0.00    +0.046 A 
ATOM     35  C   LIG    1        6.619  -2.573   1.580  0.00  0.00    +0.045 A 
ENDBRANCH  29  33
ENDBRANCH  27  29
ENDBRANCH   1  27
TORSDOF 5