REMARK  Name = BDB010502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.990   1.114   0.692  0.00  0.00    +0.149 A 
ATOM      2  C   LIG    1       -0.871   1.883   1.020  0.00  0.00    +0.128 A 
ATOM      3  C   LIG    1       -0.983   3.261   1.096  0.00  0.00    +0.184 A 
ATOM      4  N   LIG    1        0.193   3.843   1.444  0.00  0.00    -0.206 NA
ATOM      5  C   LIG    1        1.071   2.863   1.562  0.00  0.00    +0.169 A 
ATOM      6  N   LIG    1       -2.110   3.947   0.857  0.00  0.00    -0.200 NA
ATOM      7  C   LIG    1       -3.119   3.151   0.508  0.00  0.00    +0.242 A 
ATOM      8  N   LIG    1        0.470   1.643   1.279  0.00  0.00    -0.318 N 
ATOM      9  N   LIG    1       -3.120   1.794   0.408  0.00  0.00    -0.205 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        2.452   3.098   1.919  0.00  0.00    +0.144 A 
ATOM     11  S   LIG    1        3.080   4.700   2.058  0.00  0.00    -0.073 S 
ATOM     12  C   LIG    1        4.616   4.063   2.461  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1        4.558   2.688   2.471  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        3.326   2.142   2.164  0.00  0.00    -0.244 NA
ENDBRANCH   5  10
BRANCH   1  15
ATOM     15  N   LIG    1       -1.983  -0.271   0.630  0.00  0.00    -0.324 N 
ATOM     16  H   LIG    1       -1.396  -0.705   1.331  0.00  0.00    +0.148 HD
BRANCH  15  18
ATOM     17  C   LIG    1       -4.017  -1.122   1.708  0.00  0.00    +0.028 C 
ATOM     18  C   LIG    1       -3.236  -0.992   0.400  0.00  0.00    +0.072 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.902  -2.390  -0.129  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -2.270  -2.459  -1.549  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -3.074  -3.757  -1.763  0.00  0.00    +0.001 C 
ATOM     22  C   LIG    1       -4.075  -3.223  -0.719  0.00  0.00    +0.005 C 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   1  15
BRANCH   7  23
ATOM     23  C   LIG    1       -4.443   3.790   0.179  0.00  0.00    +0.375 C 
ATOM     24  O   LIG    1       -4.709   4.977   0.226  0.00  0.00    -0.242 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -5.348   2.838  -0.191  0.00  0.00    -0.475 OA
ATOM     26  H   LIG    1       -4.917   1.952  -0.153  0.00  0.00    +0.296 HD
ENDBRANCH  23  25
ENDBRANCH   7  23
BRANCH   8  27
ATOM     27  C   LIG    1        1.117   0.343   1.201  0.00  0.00    +0.127 C 
BRANCH  27  28
ATOM     28  C   LIG    1        1.347  -0.165  -0.238  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1        1.826  -1.632  -0.229  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1        3.343  -1.748  -0.345  0.00  0.00    +0.003 C 
ATOM     31  C   LIG    1        3.873  -1.127  -1.651  0.00  0.00    -0.014 C 
ATOM     32  C   LIG    1        4.069  -2.188  -2.735  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        2.973   0.006  -2.172  0.00  0.00    +0.003 C 
ATOM     34  C   LIG    1        2.308   0.752  -1.022  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 8