REMARK  Name = BDB024545
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.395  -0.390  -0.856  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.339   0.430  -0.415  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.673   1.865  -0.341  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.789   2.474  -1.749  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.712   2.667   0.533  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.289   2.462   0.064  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.970   0.995   0.055  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.635   0.574   0.257  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.488   1.338   0.417  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1       -1.503   0.505   0.565  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1       -1.053  -0.805   0.538  0.00  0.00    -0.323 N 
ATOM     12  C   LIG    1        0.317  -0.772   0.325  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.294  -1.758   0.204  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.614  -1.334  -0.021  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.978   0.017  -0.149  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.567  -0.018  -0.885  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.823  -2.041   0.659  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1       -2.709  -2.128   1.908  0.00  0.00    +0.056 C 
ATOM     19  C   LIG    1       -3.396  -3.491   1.997  0.00  0.00    +0.117 C 
ATOM     20  C   LIG    1       -4.182  -3.804   0.725  0.00  0.00    +0.031 C 
ATOM     21  C   LIG    1       -3.303  -3.724  -0.519  0.00  0.00    +0.004 C 
ATOM     22  C   LIG    1       -2.595  -2.374  -0.627  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  O   LIG    1       -4.283  -3.473   3.108  0.00  0.00    -0.392 OA
ATOM     24  H   LIG    1       -4.695  -4.352   3.179  0.00  0.00    +0.210 HD
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  26
ATOM     25  C   LIG    1        6.093  -2.406  -1.838  0.00  0.00    +0.282 C 
ATOM     26  O   LIG    1        5.021  -1.610  -1.332  0.00  0.00    -0.453 OA
ENDBRANCH   1  26
BRANCH  10  27
ATOM     27  C   LIG    1       -2.936   0.928   0.746  0.00  0.00    +0.199 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.180   2.255   0.178  0.00  0.00    -0.308 N 
ATOM     29  C   LIG    1       -3.413   3.316   1.051  0.00  0.00    +0.252 A 
ATOM     30  O   LIG    1       -3.501   3.222   2.272  0.00  0.00    -0.268 OA
ATOM     31  C   LIG    1       -3.603   4.650   0.417  0.00  0.00    +0.070 A 
ATOM     32  C   LIG    1       -3.558   4.781  -0.914  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1       -3.320   3.634  -1.751  0.00  0.00    +0.018 A 
ATOM     34  C   LIG    1       -3.138   2.430  -1.198  0.00  0.00    +0.089 A 
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 5