REMARK  Name = BDB059130
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.495  -0.566  -1.200  0.00  0.00    +0.120 C 
ATOM      2  C   LIG    1       -1.804   0.057  -2.429  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1       -0.383   0.379  -1.952  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1       -0.063  -0.787  -1.016  0.00  0.00    +0.060 C 
ATOM      5  C   LIG    1       -1.361  -0.964  -0.229  0.00  0.00    +0.037 C 
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1       -6.550   0.690   1.158  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -5.313   0.943   0.549  0.00  0.00    +0.058 A 
ATOM      8  C   LIG    1       -4.491   2.080   0.322  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1       -3.357   1.654  -0.338  0.00  0.00    +0.089 A 
ATOM     10  N   LIG    1       -3.472   0.299  -0.549  0.00  0.00    -0.326 N 
ATOM     11  C   LIG    1       -4.649  -0.148   0.005  0.00  0.00    +0.146 A 
ATOM     12  N   LIG    1       -5.075  -1.423   0.019  0.00  0.00    -0.218 NA
ATOM     13  C   LIG    1       -6.269  -1.540   0.622  0.00  0.00    +0.225 A 
ATOM     14  N   LIG    1       -7.016  -0.573   1.189  0.00  0.00    -0.220 NA
BRANCH   6  15
ATOM     15  N   LIG    1       -7.327   1.671   1.760  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -8.019   1.251   2.369  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1       -6.808   2.451   2.136  0.00  0.00    +0.144 HD
ENDBRANCH   6  15
ENDBRANCH   1  10
BRANCH   2  18
ATOM     18  O   LIG    1       -1.729  -0.913  -3.486  0.00  0.00    -0.387 OA
ATOM     19  H   LIG    1       -0.951  -0.642  -4.016  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        0.504   0.440  -3.063  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        1.411   0.384  -2.699  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   4  22
ATOM     22  C   LIG    1        1.150  -0.524  -0.126  0.00  0.00    +0.235 C 
BRANCH  22  23
ATOM     23  O   LIG    1        2.283  -0.311  -0.972  0.00  0.00    -0.492 OA
BRANCH  23  24
ATOM     24  C   LIG    1        3.483  -0.073  -0.358  0.00  0.00    +0.123 A 
ATOM     25  C   LIG    1        3.697   0.018   1.019  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1        4.958   0.269   1.546  0.00  0.00    +0.074 A 
ATOM     27  C   LIG    1        6.041   0.433   0.656  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        7.308   0.685   1.198  0.00  0.00    +0.011 A 
ATOM     29  C   LIG    1        7.465   0.766   2.576  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        6.345   0.592   3.367  0.00  0.00    +0.111 A 
ATOM     31  C   LIG    1        5.835   0.342  -0.728  0.00  0.00    +0.013 A 
ATOM     32  N   LIG    1        5.108   0.348   2.880  0.00  0.00    -0.255 NA
ATOM     33  C   LIG    1        4.559   0.090  -1.229  0.00  0.00    +0.046 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 7