REMARK  Name = BDB000157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.472   0.786  -0.186  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1        0.684   0.927  -0.918  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        1.988   0.774  -0.277  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        2.950   0.513  -1.437  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        2.289   1.226  -2.613  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        0.805   1.007  -2.363  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1       -0.441   0.522   1.022  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.369   2.072   0.470  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        3.244   2.008   1.520  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        3.388   2.912   1.951  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        1.978   3.186   0.110  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        3.569   0.838   2.310  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.609  -0.038   1.663  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        5.818   0.502   1.198  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        6.782  -0.317   0.609  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        6.555  -1.686   0.487  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.365  -2.238   0.958  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.400  -1.420   1.548  0.00  0.00    +0.005 A 
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  19
ATOM     19  C   LIG    1       -1.817   1.035  -0.907  0.00  0.00    +0.162 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -3.140  -1.005  -0.493  0.00  0.00    +0.231 C 
ATOM     21  N   LIG    1       -2.852   0.311  -0.167  0.00  0.00    -0.302 N 
ATOM     22  H   LIG    1       -2.881   0.519   0.826  0.00  0.00    +0.150 HD
ATOM     23  O   LIG    1       -2.752  -1.539  -1.528  0.00  0.00    -0.274 OA
BRANCH  20  24
ATOM     24  C   LIG    1       -4.073  -1.687   0.543  0.00  0.00    +0.140 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -2.785  -3.871   0.662  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -4.143  -3.222   0.360  0.00  0.00    +0.009 C 
ATOM     27  C   LIG    1       -5.202  -3.865   1.267  0.00  0.00    +0.009 C 
ENDBRANCH  24  26
BRANCH  24  28
ATOM     28  N   LIG    1       -5.410  -1.062   0.405  0.00  0.00    -0.320 NA
ATOM     29  H   LIG    1       -5.779  -1.306  -0.516  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -5.293  -0.048   0.385  0.00  0.00    +0.119 HD
ENDBRANCH  24  28
ENDBRANCH  20  24
ENDBRANCH  19  21
BRANCH  19  31
ATOM     31  C   LIG    1       -2.120   2.548  -1.010  0.00  0.00    +0.012 C 
ATOM     32  C   LIG    1       -3.325   2.795  -1.923  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -2.351   3.224   0.346  0.00  0.00    +0.009 C 
ENDBRANCH  19  31
ENDBRANCH   1  19
TORSDOF 9