REMARK  Name = BDB005008
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.893   1.770   1.817  0.00  0.00    -0.322 N 
ATOM      2  H   LIG    1       -0.972   2.741   2.101  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.334   1.657   0.485  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -2.632   2.098   0.149  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -3.014   1.976  -1.202  0.00  0.00    +0.088 A 
ATOM      6  C   LIG    1       -4.304   2.424  -1.558  0.00  0.00    +0.063 A 
ATOM      7  C   LIG    1       -5.185   2.961  -0.598  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -4.806   3.059   0.730  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -2.163   1.444  -2.107  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -0.966   1.035  -1.673  0.00  0.00    +0.223 A 
ATOM     11  C   LIG    1       -3.540   2.629   1.101  0.00  0.00    +0.013 A 
ATOM     12  N   LIG    1       -0.513   1.124  -0.427  0.00  0.00    -0.220 NA
BRANCH   6  13
ATOM     13  C   LIG    1       -4.837   2.364  -2.956  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1       -5.971   2.744  -3.228  0.00  0.00    -0.270 OA
ATOM     15  N   LIG    1       -4.031   1.874  -3.940  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1       -3.102   1.524  -3.724  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1       -4.390   1.804  -4.880  0.00  0.00    +0.145 HD
ENDBRANCH   6  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1        0.413   1.215   2.214  0.00  0.00    +0.099 C 
ATOM     19  C   LIG    1        1.579   2.020   1.629  0.00  0.00    +0.033 C 
BRANCH  18  22
ATOM     20  C   LIG    1        1.413  -2.369   1.197  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1        1.395  -0.973   1.282  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        0.457  -0.303   2.088  0.00  0.00    -0.026 A 
ATOM     23  C   LIG    1       -0.471  -1.072   2.811  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -0.461  -2.463   2.734  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        0.479  -3.108   1.931  0.00  0.00    +0.023 A 
BRANCH  20  27
ATOM     26  C   LIG    1        3.329  -2.622  -0.386  0.00  0.00    +0.405 C 
ATOM     27  N   LIG    1        2.323  -3.093   0.408  0.00  0.00    -0.251 N 
ATOM     28  H   LIG    1        2.251  -4.100   0.406  0.00  0.00    +0.158 HD
ATOM     29  O   LIG    1        3.662  -1.464  -0.579  0.00  0.00    -0.226 OA
BRANCH  26  30
ATOM     30  O   LIG    1        3.942  -3.696  -0.957  0.00  0.00    -0.450 OA
BRANCH  30  32
ATOM     31  C   LIG    1        6.326  -3.274  -1.046  0.00  0.00    +0.048 C 
ATOM     32  C   LIG    1        5.037  -3.400  -1.837  0.00  0.00    +0.230 C 
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH  20  27
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 7