REMARK  Name = BDB054403
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.329  -1.747  -1.284  0.00  0.00    +0.044 A 
ATOM      2  C   LIG    1        2.271  -0.872  -0.924  0.00  0.00    -0.006 A 
ATOM      3  C   LIG    1        0.944  -1.299  -1.185  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1       -0.140  -0.477  -0.835  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        0.070   0.763  -0.230  0.00  0.00    +0.129 A 
ATOM      6  C   LIG    1        1.364   1.217  -0.008  0.00  0.00    +0.047 A 
ATOM      7  C   LIG    1        0.717  -2.539  -1.806  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        1.776  -3.365  -2.180  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        2.451   0.409  -0.347  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        3.083  -2.970  -1.922  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  13
ATOM     11  N   LIG    1        5.062  -1.277   0.325  0.00  0.00    -0.309 N 
ATOM     12  H   LIG    1        4.317  -1.243   1.013  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        4.751  -1.435  -1.005  0.00  0.00    +0.245 C 
ATOM     14  O   LIG    1        5.562  -1.377  -1.920  0.00  0.00    -0.270 OA
BRANCH  11  15
ATOM     15  C   LIG    1        6.365  -0.807   0.758  0.00  0.00    +0.132 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.652  -1.230   2.196  0.00  0.00    +0.178 C 
BRANCH  16  18
ATOM     17  C   LIG    1        5.866  -1.030   4.412  0.00  0.00    +0.194 C 
ATOM     18  O   LIG    1        5.640  -0.683   3.051  0.00  0.00    -0.381 OA
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   5  19
ATOM     19  O   LIG    1       -0.953   1.623   0.103  0.00  0.00    -0.455 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -2.062   1.066   0.709  0.00  0.00    +0.139 A 
ATOM     21  C   LIG    1       -3.327   1.245   0.117  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -4.428   0.688   0.791  0.00  0.00    +0.078 A 
ATOM     23  C   LIG    1       -5.692   0.832   0.237  0.00  0.00    +0.077 A 
ATOM     24  C   LIG    1       -5.901   1.513  -0.968  0.00  0.00    +0.164 A 
ATOM     25  C   LIG    1       -4.804   2.069  -1.648  0.00  0.00    +0.162 A 
ATOM     26  N   LIG    1       -4.304   0.022   1.954  0.00  0.00    -0.255 NA
ATOM     27  C   LIG    1       -3.074  -0.104   2.497  0.00  0.00    +0.115 A 
ATOM     28  C   LIG    1       -3.527   1.934  -1.101  0.00  0.00    +0.063 A 
ATOM     29  C   LIG    1       -1.929   0.401   1.923  0.00  0.00    +0.066 A 
BRANCH  25  30
ATOM     30  O   LIG    1       -5.083   2.716  -2.824  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -3.995   3.273  -3.548  0.00  0.00    +0.277 C 
ENDBRANCH  25  30
BRANCH  24  32
ATOM     32  O   LIG    1       -7.128   1.683  -1.561  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1       -8.266   1.176  -0.878  0.00  0.00    +0.277 C 
ENDBRANCH  24  32
ENDBRANCH  19  20
ENDBRANCH   5  19
TORSDOF 8