REMARK  Name = BDB053763
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.155   0.172   0.288  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.887  -0.902  -0.224  0.00  0.00    -0.278 N 
ATOM      3  C   LIG    1       -0.200  -2.083   0.059  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1        1.008  -1.724   0.660  0.00  0.00    +0.105 A 
ATOM      5  N   LIG    1        1.940  -2.629   1.058  0.00  0.00    -0.249 NA
ATOM      6  C   LIG    1        1.633  -3.920   0.822  0.00  0.00    +0.156 A 
ATOM      7  C   LIG    1        0.479  -4.361   0.198  0.00  0.00    +0.137 A 
ATOM      8  C   LIG    1       -0.467  -3.435  -0.216  0.00  0.00    +0.075 A 
ATOM      9  C   LIG    1        1.060  -0.314   0.751  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        2.110   0.511   1.324  0.00  0.00    +0.254 C 
ATOM     11  N   LIG    1        3.382   0.424   0.765  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        3.715  -0.294  -0.470  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.912   0.340  -1.202  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        6.136   0.476  -0.395  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        6.731  -0.341  -0.529  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        5.845   0.609   1.045  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        4.464   1.200   1.370  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        1.868   1.272   2.260  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.097  -0.826  -0.971  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -2.220   0.122  -1.993  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -3.398   0.193  -2.738  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.452  -0.678  -2.464  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.331  -1.623  -1.446  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -3.155  -1.701  -0.699  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   7  25
ATOM     25  O   LIG    1        0.226  -5.679  -0.040  0.00  0.00    -0.505 OA
ATOM     26  H   LIG    1        0.954  -6.216   0.314  0.00  0.00    +0.292 HD
ENDBRANCH   7  25
BRANCH   1  27
ATOM     27  O   LIG    1       -0.567   1.447   0.296  0.00  0.00    -0.438 OA
BRANCH  27  30
ATOM     28  C   LIG    1       -1.745   3.598  -1.068  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -2.398   2.927   0.111  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1       -1.787   1.857   0.802  0.00  0.00    +0.136 A 
ATOM     31  C   LIG    1       -2.393   1.331   1.962  0.00  0.00    -0.008 A 
ATOM     32  C   LIG    1       -1.746   0.315   2.861  0.00  0.00    +0.047 C 
ATOM     33  C   LIG    1       -3.672   1.791   2.322  0.00  0.00    +0.007 A 
ATOM     34  C   LIG    1       -4.311   2.790   1.593  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1       -3.671   3.365   0.501  0.00  0.00    +0.007 A 
ENDBRANCH  27  30
ENDBRANCH   1  27
TORSDOF 5