REMARK  Name = BDB017582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.751  -1.408   0.175  0.00  0.00    -0.031 A 
ATOM      2  C   LIG    1        1.558  -1.556  -0.950  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        2.838  -0.990  -0.978  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1        3.383  -0.292   0.124  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        4.794   0.184  -0.022  0.00  0.00    +0.045 A 
ATOM      6  N   LIG    1        5.475   0.658   1.103  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1        5.275   0.070   1.913  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        6.908   0.958   1.043  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1        7.245   1.593  -0.298  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        6.794   0.683  -1.441  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        5.408   0.137  -1.222  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1        4.768  -0.516  -2.390  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1        5.314  -0.570  -3.487  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        2.538  -0.080   1.244  0.00  0.00    -0.011 A 
ATOM     15  N   LIG    1        3.556  -1.098  -2.174  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1        3.145  -1.548  -2.980  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1        1.250  -0.670   1.255  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  18
ATOM     18  C   LIG    1       -0.624  -2.043   0.229  0.00  0.00    +0.119 C 
BRANCH  18  22
ATOM     19  N   LIG    1       -4.449  -0.610  -0.421  0.00  0.00    -0.313 N 
ATOM     20  C   LIG    1       -3.209  -0.361  -1.197  0.00  0.00    +0.122 C 
ATOM     21  C   LIG    1       -1.992  -0.062  -0.294  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1       -1.676  -1.128   0.692  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -2.897  -1.891   1.047  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -4.191  -1.051   0.973  0.00  0.00    +0.122 C 
BRANCH  19  27
ATOM     25  C   LIG    1       -7.326  -1.020  -0.380  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -6.693   0.341  -0.349  0.00  0.00    -0.011 A 
ATOM     27  C   LIG    1       -5.300   0.520  -0.391  0.00  0.00    +0.124 A 
ATOM     28  N   LIG    1       -4.744   1.755  -0.376  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1       -5.562   2.826  -0.300  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1       -6.938   2.740  -0.234  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -7.509   1.476  -0.256  0.00  0.00    +0.008 A 
ENDBRANCH  19  27
ENDBRANCH  18  22
ENDBRANCH   1  18
BRANCH  14  32
ATOM     32  C   LIG    1        2.882   0.751   2.462  0.00  0.00    +0.191 C 
BRANCH  32  33
ATOM     33  O   LIG    1        3.350   2.049   2.131  0.00  0.00    -0.390 OA
ATOM     34  H   LIG    1        4.137   1.913   1.562  0.00  0.00    +0.210 HD
ENDBRANCH  32  33
ENDBRANCH  14  32
TORSDOF 5