REMARK  Name = BDB021595
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.678   0.123  -0.984  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        3.078   1.340  -1.311  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        1.940   1.809  -0.625  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1        1.555   3.021  -1.116  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        0.479   3.723  -0.516  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -0.779   2.877  -0.453  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -0.825   2.176   0.821  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.186   1.325   1.244  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.088   0.753   2.333  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.382   1.025   0.395  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1        1.994  -0.218   0.694  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        3.124  -0.673   0.011  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  19
ATOM     13  C   LIG    1        9.247  -2.618  -1.746  0.00  0.00    +0.039 C 
ATOM     14  C   LIG    1        8.070  -2.071  -0.952  0.00  0.00    +0.133 C 
ATOM     15  O   LIG    1        8.602  -1.313   0.150  0.00  0.00    -0.374 OA
ATOM     16  C   LIG    1        7.780  -0.214   0.561  0.00  0.00    +0.179 C 
ATOM     17  C   LIG    1        6.282  -0.453   0.340  0.00  0.00    +0.136 C 
ATOM     18  N   LIG    1        5.997  -0.729  -1.073  0.00  0.00    -0.293 N 
ATOM     19  C   LIG    1        4.858  -0.325  -1.757  0.00  0.00    +0.247 C 
ATOM     20  O   LIG    1        4.774  -0.321  -2.982  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1        7.123  -1.254  -1.847  0.00  0.00    +0.139 C 
ENDBRANCH   1  19
BRANCH   7  22
ATOM     22  C   LIG    1       -1.995   2.390   1.692  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.017   1.223   1.715  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -2.521   0.116   2.476  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1       -1.544   0.192   2.527  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1       -3.421   0.777   0.288  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.594  -0.100   0.115  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -5.860   0.556   0.476  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -7.067  -0.345   0.310  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -6.922  -1.745   0.291  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -8.055  -2.561   0.169  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -9.326  -1.993   0.093  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -9.475  -0.609   0.131  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -5.545  -2.360   0.336  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -8.352   0.212   0.242  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1       -4.473  -1.377   0.831  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 6