REMARK  Name = BDB031755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.198   2.051   1.553  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -0.977   2.051   0.163  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        0.271   1.640  -0.320  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.315   1.247   0.506  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        2.385   0.908  -0.383  0.00  0.00    +0.153 A 
ATOM      6  N   LIG    1        2.035   1.119  -1.655  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1        1.110   1.265   1.898  0.00  0.00    +0.014 A 
ATOM      8  N   LIG    1        0.761   1.522  -1.589  0.00  0.00    -0.275 N 
ATOM      9  H   LIG    1        0.277   1.714  -2.458  0.00  0.00    +0.189 HD
ATOM     10  C   LIG    1       -0.139   1.671   2.396  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1  15
ATOM     11  C   LIG    1       -3.562  -1.658  -0.028  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -3.149  -0.642   0.848  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1       -3.941   0.485   1.008  0.00  0.00    -0.007 A 
ATOM     14  C   LIG    1       -3.813   1.729   1.841  0.00  0.00    +0.081 C 
ATOM     15  C   LIG    1       -2.531   2.489   2.115  0.00  0.00    +0.040 C 
ATOM     16  C   LIG    1       -5.083   2.497   1.550  0.00  0.00    +0.228 C 
ATOM     17  N   LIG    1       -5.803   1.756   0.629  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1       -6.699   2.052   0.274  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -5.390   3.568   2.044  0.00  0.00    -0.274 OA
ATOM     20  C   LIG    1       -3.211   1.699   3.216  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -5.149   0.567   0.301  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -5.590  -0.412  -0.564  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -4.777  -1.538  -0.728  0.00  0.00    +0.047 A 
BRANCH  11  25
ATOM     24  C   LIG    1       -3.018  -3.747  -1.031  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1       -2.697  -2.716  -0.107  0.00  0.00    -0.495 OA
ENDBRANCH  11  25
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  N   LIG    1        3.597   0.501   0.068  0.00  0.00    -0.281 N 
ATOM     27  H   LIG    1        3.701   0.385   1.066  0.00  0.00    +0.155 HD
BRANCH  26  28
ATOM     28  C   LIG    1        4.519  -0.335  -0.603  0.00  0.00    +0.145 A 
ATOM     29  C   LIG    1        5.887  -0.288  -0.263  0.00  0.00    +0.078 A 
ATOM     30  C   LIG    1        6.403   0.672   0.768  0.00  0.00    +0.069 C 
ATOM     31  N   LIG    1        6.818  -1.089  -0.849  0.00  0.00    -0.255 NA
ATOM     32  C   LIG    1        6.353  -1.924  -1.802  0.00  0.00    +0.134 A 
ATOM     33  C   LIG    1        5.015  -1.981  -2.158  0.00  0.00    +0.058 A 
ATOM     34  C   LIG    1        4.546  -2.919  -3.224  0.00  0.00    +0.067 C 
ATOM     35  N   LIG    1        4.090  -1.198  -1.555  0.00  0.00    -0.234 NA
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 4