REMARK  Name = BDB042473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.083   0.375  -0.533  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        0.837  -0.110  -1.148  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.072   1.070  -1.573  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.417   2.044  -0.510  0.00  0.00    -0.299 NA
ATOM      5  C   LIG    1        0.556   1.972   0.603  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        2.006   1.673   0.156  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        5.671  -0.617  -0.202  0.00  0.00    +0.035 A 
ATOM      8  C   LIG    1        4.495   0.155  -0.250  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1        3.226  -0.406  -0.487  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1        3.187  -1.793  -0.685  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1        4.343  -2.578  -0.637  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        5.583  -1.991  -0.394  0.00  0.00    +0.023 A 
BRANCH   7  15
ATOM     13  C   LIG    1        9.196   0.588   0.386  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        8.153  -0.471   0.126  0.00  0.00    +0.214 C 
ATOM     15  N   LIG    1        6.882   0.068   0.039  0.00  0.00    -0.286 N 
ATOM     16  H   LIG    1        6.806   1.070   0.152  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        8.471  -1.648   0.001  0.00  0.00    -0.276 OA
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   4  18
ATOM     18  C   LIG    1       -1.787   1.882  -0.004  0.00  0.00    +0.085 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.824   2.432  -0.995  0.00  0.00    +0.021 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.255   2.383  -0.443  0.00  0.00    +0.054 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.750   0.988  -0.148  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1       -4.917   0.144  -1.222  0.00  0.00    -0.326 N 
ATOM     23  H   LIG    1       -4.717   0.470  -2.161  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1       -5.355  -1.160  -1.145  0.00  0.00    +0.257 A 
ATOM     25  O   LIG    1       -5.473  -1.863  -2.141  0.00  0.00    -0.267 OA
ATOM     26  C   LIG    1       -5.672  -1.667   0.212  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.511  -0.805   1.309  0.00  0.00    -0.011 A 
ATOM     28  C   LIG    1       -5.808  -1.273   2.595  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1       -6.258  -2.583   2.772  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -6.410  -3.420   1.669  0.00  0.00    +0.124 A 
ATOM     31  F   LIG    1       -6.842  -4.674   1.852  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -6.122  -2.977   0.386  0.00  0.00    +0.052 A 
ATOM     33  C   LIG    1       -5.035   0.564   1.094  0.00  0.00    +0.030 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 6