REMARK  Name = BDB021478
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.568   0.492   0.991  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1       -3.104  -0.515   0.151  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1       -1.726  -0.697  -0.109  0.00  0.00    +0.136 A 
ATOM      4  O   LIG    1       -1.538  -1.744  -0.965  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1       -0.345  -1.746  -1.728  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1        0.827  -2.088  -0.836  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1        1.431  -0.885  -0.291  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.725   0.081   0.424  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        1.362   0.944   1.040  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -0.776   0.126   0.511  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1       -1.271   1.143   1.361  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -2.638   1.324   1.594  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  13
ATOM     13  O   LIG    1       -4.867   0.772   1.297  0.00  0.00    -0.487 OA
BRANCH  13  16
ATOM     14  N   LIG    1       -7.323  -0.411  -1.282  0.00  0.00    -0.299 NA
ATOM     15  C   LIG    1       -6.277   0.429  -0.685  0.00  0.00    +0.128 C 
ATOM     16  C   LIG    1       -5.911  -0.035   0.738  0.00  0.00    +0.187 C 
ATOM     17  C   LIG    1       -7.136   0.110   1.658  0.00  0.00    +0.047 C 
ATOM     18  C   LIG    1       -8.464   0.025   0.905  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1       -8.363  -0.846  -0.345  0.00  0.00    +0.084 C 
BRANCH  14  21
ATOM     20  C   LIG    1       -8.667   1.372  -2.487  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -7.828   0.100  -2.558  0.00  0.00    +0.081 C 
ENDBRANCH  14  21
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   7  22
ATOM     22  C   LIG    1        2.908  -0.839  -0.251  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.486  -1.419   1.058  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1        3.383  -0.500   2.155  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1        2.673   0.141   1.931  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1        4.958  -1.871   0.899  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1        5.870  -0.915   0.231  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1        6.043   0.313   1.040  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1        7.136   1.236   0.535  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1        8.137   0.772  -0.334  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1        9.146   1.644  -0.766  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1        9.178   2.963  -0.313  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.200   3.421   0.565  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        8.083  -0.642  -0.848  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1        7.185   2.563   0.990  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1        7.186  -1.541   0.012  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 8