REMARK  Name = BDB059129
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.923   0.831  -0.746  0.00  0.00    +0.023 C 
ATOM      2  C   LIG    1       -0.303   1.747  -1.808  0.00  0.00    +0.148 C 
ATOM      3  C   LIG    1        1.207   1.597  -1.607  0.00  0.00    +0.166 C 
ATOM      4  C   LIG    1        1.332   1.608  -0.077  0.00  0.00    +0.120 C 
ATOM      5  C   LIG    1        0.057   0.916   0.446  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1        2.573   1.034   0.415  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1        3.010  -0.255   0.218  0.00  0.00    +0.146 A 
ATOM      8  C   LIG    1        4.245  -0.389   0.838  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1        4.863  -1.644   0.750  0.00  0.00    +0.129 A 
ATOM     10  N   LIG    1        4.237  -2.634   0.086  0.00  0.00    -0.220 NA
ATOM     11  C   LIG    1        3.042  -2.367  -0.475  0.00  0.00    +0.225 A 
ATOM     12  C   LIG    1        4.556   0.870   1.420  0.00  0.00    +0.032 A 
ATOM     13  N   LIG    1        2.354  -1.213  -0.459  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1        3.510   1.726   1.146  0.00  0.00    +0.089 A 
BRANCH   9  15
ATOM     15  N   LIG    1        6.090  -1.940   1.326  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1        6.223  -2.942   1.389  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        6.312  -1.404   2.153  0.00  0.00    +0.144 HD
ENDBRANCH   9  15
ENDBRANCH   4   6
BRANCH   2  18
ATOM     18  O   LIG    1       -0.679   3.102  -1.535  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -0.022   3.646  -2.016  0.00  0.00    +0.210 HD
ENDBRANCH   2  18
BRANCH   3  20
ATOM     20  O   LIG    1        1.887   2.698  -2.215  0.00  0.00    -0.387 OA
ATOM     21  H   LIG    1        2.842   2.536  -2.101  0.00  0.00    +0.210 HD
ENDBRANCH   3  20
BRANCH   1  22
ATOM     22  C   LIG    1       -1.106  -0.602  -1.286  0.00  0.00    +0.011 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.753  -1.593  -0.308  0.00  0.00    +0.037 C 
BRANCH  23  27
ATOM     24  C   LIG    1       -5.751  -0.568   0.723  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1       -5.503  -1.061  -0.500  0.00  0.00    -0.240 NA
ATOM     26  C   LIG    1       -4.221  -1.377  -0.792  0.00  0.00    +0.116 A 
ATOM     27  C   LIG    1       -3.155  -1.228   0.090  0.00  0.00    -0.029 A 
ATOM     28  C   LIG    1       -3.446  -0.722   1.356  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -4.761  -0.391   1.678  0.00  0.00    +0.043 A 
BRANCH  24  30
ATOM     30  N   LIG    1       -7.078  -0.261   1.013  0.00  0.00    -0.343 N 
ATOM     31  H   LIG    1       -7.605  -0.430   0.159  0.00  0.00    +0.144 HD
ATOM     32  H   LIG    1       -7.172   0.697   1.328  0.00  0.00    +0.144 HD
ENDBRANCH  24  30
ENDBRANCH  23  27
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 8