REMARK  Name = BDB013895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.195   0.903   0.119  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.094   1.084  -0.915  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        0.335   0.790  -2.096  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -1.144   1.583  -0.511  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.530   2.021   0.814  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.664   2.486   1.828  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.217   2.868   3.083  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.577   2.804   3.356  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.431   2.352   2.373  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1        0.833   2.693   1.786  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.913   1.971   1.133  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        1.605   2.296   0.551  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.293  -0.422   0.196  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.303   0.200  -0.525  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        2.231   0.086  -1.533  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.356  -0.324   1.422  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        4.358  -1.170  -0.650  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        3.746  -2.123  -1.676  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        4.875  -3.058   0.857  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        5.354  -1.828   0.235  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        5.557  -1.163   0.988  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -2.119   1.711  -1.598  0.00  0.00    +0.150 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.818   0.431  -2.016  0.00  0.00    -0.015 A 
ATOM     24  C   LIG    1       -2.887  -0.869  -1.352  0.00  0.00    -0.006 A 
ATOM     25  C   LIG    1       -3.653  -1.782  -2.092  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -3.870  -3.109  -1.662  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -3.309  -3.540  -0.463  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -2.547  -2.671   0.297  0.00  0.00    +0.001 A 
ATOM     29  S   LIG    1       -4.267  -1.084  -3.535  0.00  0.00    -0.096 S 
ATOM     30  C   LIG    1       -2.336  -1.356  -0.135  0.00  0.00    +0.009 A 
ATOM     31  C   LIG    1       -3.535   0.407  -3.203  0.00  0.00    +0.051 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5