REMARK  Name = BDB021963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.983  -0.969  -0.623  0.00  0.00    -0.266 N 
ATOM      2  H   LIG    1       -3.133  -0.064  -0.196  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -1.702  -1.464  -0.634  0.00  0.00    +0.307 C 
ATOM      4  N   LIG    1       -0.701  -0.499  -0.448  0.00  0.00    -0.275 N 
ATOM      5  O   LIG    1       -1.421  -2.653  -0.777  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -5.388  -0.962  -0.589  0.00  0.00    +0.141 A 
ATOM      7  C   LIG    1       -4.192  -1.652  -0.884  0.00  0.00    +0.077 A 
ATOM      8  C   LIG    1       -4.254  -2.936  -1.430  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -5.490  -3.538  -1.670  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -6.669  -2.861  -1.371  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -6.622  -1.573  -0.833  0.00  0.00    +0.047 A 
BRANCH   6  13
ATOM     12  C   LIG    1       -6.401   1.028   0.257  0.00  0.00    +0.277 C 
ATOM     13  O   LIG    1       -5.223   0.300  -0.065  0.00  0.00    -0.493 OA
ENDBRANCH   6  13
ENDBRANCH   1   7
BRANCH   4  14
ATOM     14  C   LIG    1        0.696  -0.978  -0.385  0.00  0.00    +0.080 C 
ATOM     15  C   LIG    1        1.323  -1.075  -1.781  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        2.755  -1.599  -1.696  0.00  0.00    +0.086 C 
ATOM     17  N   LIG    1        3.579  -0.760  -0.812  0.00  0.00    -0.298 NA
ATOM     18  C   LIG    1        3.023  -0.734   0.551  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        1.601  -0.168   0.551  0.00  0.00    +0.038 C 
BRANCH  17  20
ATOM     20  C   LIG    1        4.971  -1.251  -0.812  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.949  -0.295  -0.160  0.00  0.00    -0.033 A 
ATOM     22  C   LIG    1        6.777  -0.726   0.888  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        7.689   0.153   1.476  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        7.787   1.467   1.022  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.973   1.905  -0.021  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.062   1.028  -0.611  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   4  14
BRANCH   4  27
ATOM     27  C   LIG    1       -0.939   0.931  -0.680  0.00  0.00    +0.183 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.375   1.616   0.568  0.00  0.00    +0.122 A 
ATOM     29  O   LIG    1       -1.712   2.932   0.432  0.00  0.00    -0.463 OA
ATOM     30  C   LIG    1       -2.093   3.382   1.659  0.00  0.00    +0.102 A 
ATOM     31  C   LIG    1       -2.498   4.799   1.737  0.00  0.00    +0.086 C 
ATOM     32  C   LIG    1       -2.009   2.366   2.584  0.00  0.00    +0.045 A 
ATOM     33  C   LIG    1       -1.548   1.227   1.882  0.00  0.00    +0.046 A 
ENDBRANCH  27  28
ENDBRANCH   4  27
TORSDOF 7