REMARK  Name = BDB020571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.728  -0.368  -1.099  0.00  0.00    +0.094 A 
ATOM      2  C   LIG    1       -1.633  -1.391  -0.927  0.00  0.00    +0.064 A 
ATOM      3  C   LIG    1       -1.643  -2.828  -1.249  0.00  0.00    +0.163 C 
ATOM      4  N   LIG    1       -2.391  -3.543  -0.223  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -3.571  -3.034   0.312  0.00  0.00    +0.238 C 
ATOM      6  C   LIG    1       -3.895  -1.560   0.056  0.00  0.00    +0.171 C 
ATOM      7  C   LIG    1       -4.964  -1.455  -1.027  0.00  0.00    +0.041 C 
ATOM      8  O   LIG    1       -4.362  -3.732   0.952  0.00  0.00    -0.273 OA
ATOM      9  C   LIG    1       -2.126  -4.965  -0.096  0.00  0.00    +0.132 C 
ATOM     10  N   LIG    1       -2.705  -0.808  -0.304  0.00  0.00    -0.318 N 
ATOM     11  C   LIG    1       -2.417   0.517  -0.090  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -1.220   0.798  -0.569  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   1  21
ATOM     13  C   LIG    1        4.112   0.601   0.308  0.00  0.00    +0.139 A 
ATOM     14  N   LIG    1        2.934   0.733   0.961  0.00  0.00    -0.237 NA
ATOM     15  C   LIG    1        1.805   0.396   0.288  0.00  0.00    +0.122 A 
ATOM     16  C   LIG    1        1.763  -0.095  -1.026  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1        3.010  -0.224  -1.675  0.00  0.00    -0.012 A 
ATOM     18  C   LIG    1        3.060  -0.706  -2.993  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        1.895  -1.060  -3.672  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        0.661  -0.941  -3.040  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        0.579  -0.469  -1.721  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        4.189   0.131  -0.999  0.00  0.00    +0.055 A 
BRANCH  13  27
ATOM     23  C   LIG    1        8.823   1.533   1.770  0.00  0.00    +0.067 C 
ATOM     24  C   LIG    1        7.357   1.370   1.666  0.00  0.00    +0.056 A 
ATOM     25  N   LIG    1        6.547   1.683   2.725  0.00  0.00    -0.241 NA
ATOM     26  C   LIG    1        5.324   1.433   2.311  0.00  0.00    +0.205 A 
ATOM     27  N   LIG    1        5.291   0.961   1.018  0.00  0.00    -0.290 N 
ATOM     28  C   LIG    1        6.604   0.922   0.600  0.00  0.00    +0.117 A 
ENDBRANCH  13  27
ENDBRANCH   1  21
BRANCH  11  29
ATOM     29  C   LIG    1       -3.328   1.487   0.607  0.00  0.00    +0.060 C 
ATOM     30  C   LIG    1       -2.964   1.604   2.090  0.00  0.00    +0.039 C 
ATOM     31  C   LIG    1       -3.831   2.659   2.765  0.00  0.00    +0.160 C 
ATOM     32  O   LIG    1       -3.717   3.915   2.101  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -4.134   3.857   0.738  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1       -3.280   2.873  -0.049  0.00  0.00    +0.039 C 
ENDBRANCH  11  29
TORSDOF 3