REMARK  Name = BDB004000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.185  -1.186   0.402  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -0.799  -1.016   0.498  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1       -0.184   0.143   0.009  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1       -0.971   1.141  -0.575  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1       -2.352   0.966  -0.692  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -2.959  -0.192  -0.196  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.281   0.287   0.131  0.00  0.00    +0.095 C 
ATOM      8  C   LIG    1        2.181  -0.888  -0.027  0.00  0.00    +0.118 C 
ATOM      9  C   LIG    1        3.482  -0.147  -0.196  0.00  0.00    +0.317 C 
ATOM     10  O   LIG    1        3.269   1.134   0.415  0.00  0.00    -0.378 OA
ATOM     11  N   LIG    1        1.885   1.401   0.402  0.00  0.00    -0.088 NA
BRANCH   9  12
ATOM     12  C   LIG    1        4.621  -0.847   0.522  0.00  0.00    +0.349 C 
ATOM     13  O   LIG    1        4.970  -1.995   0.285  0.00  0.00    -0.247 OA
BRANCH  12  14
ATOM     14  O   LIG    1        5.224  -0.085   1.467  0.00  0.00    -0.478 OA
ATOM     15  H   LIG    1        4.786   0.793   1.533  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   3   7
BRANCH   1  17
ATOM     16  C   LIG    1       -4.053  -2.585   0.864  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -2.649  -2.361   0.924  0.00  0.00    -0.495 OA
ENDBRANCH   1  17
BRANCH   4  18
ATOM     18  O   LIG    1       -0.401   2.245  -1.152  0.00  0.00    -0.494 OA
ATOM     19  C   LIG    1       -0.600   3.400  -0.334  0.00  0.00    +0.277 C 
ENDBRANCH   4  18
TORSDOF 5