REMARK  Name = BDB045672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.303   0.971   1.174  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1       -1.421   0.313   1.544  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -2.438   1.003   2.090  0.00  0.00    +0.220 A 
ATOM      4  N   LIG    1       -2.378   2.328   2.286  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1       -1.258   2.962   1.907  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1       -0.184   2.329   1.340  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        0.693   0.162   0.622  0.00  0.00    -0.283 N 
ATOM      8  H   LIG    1        0.358  -0.794   0.647  0.00  0.00    +0.155 HD
BRANCH   7  13
ATOM      9  C   LIG    1        3.915   0.019  -0.781  0.00  0.00    +0.050 A 
ATOM     10  N   LIG    1        3.694   1.355  -0.570  0.00  0.00    -0.279 N 
ATOM     11  H   LIG    1        4.326   2.127  -0.779  0.00  0.00    +0.189 HD
ATOM     12  N   LIG    1        2.501   1.623  -0.021  0.00  0.00    -0.158 NA
ATOM     13  C   LIG    1        1.914   0.433   0.120  0.00  0.00    +0.146 A 
ATOM     14  C   LIG    1        2.760  -0.602  -0.352  0.00  0.00    +0.069 A 
BRANCH   9  19
ATOM     15  C   LIG    1        8.819   0.251  -1.020  0.00  0.00    +0.132 C 
ATOM     16  N   LIG    1        7.476  -0.274  -0.959  0.00  0.00    -0.304 N 
ATOM     17  C   LIG    1        6.345   0.462  -1.286  0.00  0.00    +0.224 C 
ATOM     18  O   LIG    1        6.292   1.667  -1.486  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        5.171  -0.510  -1.392  0.00  0.00    +0.125 C 
ATOM     20  C   LIG    1        5.717  -1.754  -0.684  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1        7.209  -1.688  -0.953  0.00  0.00    +0.108 C 
ENDBRANCH   9  19
ENDBRANCH   7  13
ENDBRANCH   1   7
BRANCH   3  22
ATOM     22  N   LIG    1       -3.576   0.318   2.481  0.00  0.00    -0.298 N 
ATOM     23  C   LIG    1       -4.688   1.118   2.960  0.00  0.00    +0.132 C 
BRANCH  22  24
ATOM     24  C   LIG    1       -3.856  -0.978   1.875  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.653  -0.871   0.588  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1       -6.023  -1.177   0.520  0.00  0.00    +0.073 A 
ATOM     27 CL   LIG    1       -6.970  -1.722   1.841  0.00  0.00    -0.081 Cl
ATOM     28  C   LIG    1       -6.733  -1.054  -0.692  0.00  0.00    +0.107 A 
ATOM     29  C   LIG    1       -6.040  -0.623  -1.821  0.00  0.00    +0.067 A 
ATOM     30  N   LIG    1       -6.982  -0.598  -2.818  0.00  0.00    -0.344 N 
ATOM     31  H   LIG    1       -6.824  -0.326  -3.777  0.00  0.00    +0.167 HD
ATOM     32  C   LIG    1       -8.171  -1.005  -2.286  0.00  0.00    +0.197 A 
ATOM     33  C   LIG    1       -4.681  -0.311  -1.812  0.00  0.00    +0.028 A 
ATOM     34  N   LIG    1       -8.057  -1.289  -1.010  0.00  0.00    -0.234 NA
ATOM     35  C   LIG    1       -4.008  -0.447  -0.590  0.00  0.00    +0.009 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 6