REMARK  Name = BDB045240
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.073  -0.115  -0.308  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1       -0.055   0.455   0.181  0.00  0.00    -0.230 NA
ATOM      3  C   LIG    1       -1.221  -0.172  -0.088  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -1.300  -1.357  -0.807  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -2.627  -1.692  -0.879  0.00  0.00    -0.352 N 
ATOM      6  H   LIG    1       -3.019  -2.503  -1.339  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -3.388  -0.754  -0.225  0.00  0.00    +0.070 A 
ATOM      8  C   LIG    1       -0.157  -1.974  -1.294  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1       -2.537   0.204   0.278  0.00  0.00    +0.057 A 
ATOM     10  C   LIG    1        1.047  -1.320  -1.019  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -4.935  -0.865  -0.135  0.00  0.00    +0.116 A 
ATOM     12  C   LIG    1       -5.862   0.010   0.495  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1       -7.103  -0.578   0.261  0.00  0.00    +0.066 A 
ATOM     14  C   LIG    1       -8.309  -0.035   0.716  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -8.240   1.158   1.440  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -7.016   1.774   1.692  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1       -6.838  -1.710  -0.460  0.00  0.00    -0.276 N 
ATOM     18  H   LIG    1       -7.507  -2.387  -0.807  0.00  0.00    +0.189 HD
ATOM     19  C   LIG    1       -5.820   1.213   1.227  0.00  0.00    +0.012 A 
ATOM     20  N   LIG    1       -5.536  -1.913  -0.715  0.00  0.00    -0.171 NA
ENDBRANCH   7  11
BRANCH   1  22
ATOM     21  C   LIG    1        2.163   1.752   0.843  0.00  0.00    +0.141 C 
ATOM     22  N   LIG    1        2.306   0.556   0.008  0.00  0.00    -0.243 N 
ATOM     23  C   LIG    1        3.538   0.206  -0.565  0.00  0.00    +0.312 C 
ATOM     24  N   LIG    1        4.624   0.601   0.202  0.00  0.00    -0.269 N 
ATOM     25  H   LIG    1        4.423   0.737   1.181  0.00  0.00    +0.156 HD
ATOM     26  O   LIG    1        3.651  -0.403  -1.626  0.00  0.00    -0.252 OA
BRANCH  24  27
ATOM     27  C   LIG    1        5.990   0.551  -0.145  0.00  0.00    +0.035 A 
ATOM     28  C   LIG    1        6.455   0.332  -1.443  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1        7.827   0.312  -1.710  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        8.746   0.519  -0.684  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.292   0.749   0.612  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1        6.921   0.769   0.879  0.00  0.00    +0.023 A 
ENDBRANCH  24  27
ENDBRANCH   1  22
TORSDOF 3