REMARK  Name = BDB022104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.382   1.078   0.619  0.00  0.00    +0.078 A 
ATOM      2  C   LIG    1        1.222   0.662  -0.413  0.00  0.00    +0.063 A 
ATOM      3  N   LIG    1        2.530   0.806   0.087  0.00  0.00    -0.201 N 
ATOM      4  N   LIG    1        2.519   1.420   1.312  0.00  0.00    -0.171 NA
ATOM      5  C   LIG    1        1.236   1.571   1.613  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.793   0.379  -0.485  0.00  0.00    +0.252 A 
ATOM      7  N   LIG    1        4.923   0.688   0.188  0.00  0.00    -0.210 NA
ATOM      8  C   LIG    1        6.098   0.275  -0.327  0.00  0.00    +0.083 A 
ATOM      9  C   LIG    1        6.177  -0.442  -1.501  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        4.982  -0.720  -2.115  0.00  0.00    +0.117 A 
ATOM     11  N   LIG    1        3.789  -0.330  -1.634  0.00  0.00    -0.219 NA
BRANCH   8  12
ATOM     12  C   LIG    1        7.303   0.647   0.430  0.00  0.00    +0.038 A 
ATOM     13  S   LIG    1        7.236   0.825   2.141  0.00  0.00    -0.095 S 
ATOM     14  C   LIG    1        8.896   1.214   2.244  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        9.504   1.211   1.010  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        8.588   0.883  -0.033  0.00  0.00    +0.017 A 
ENDBRANCH   8  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     17  N   LIG    1       -1.686  -0.037   1.225  0.00  0.00    -0.296 N 
ATOM     18  C   LIG    1       -1.065   1.079   0.661  0.00  0.00    +0.250 C 
ATOM     19  O   LIG    1       -1.699   2.034   0.218  0.00  0.00    -0.270 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -0.989  -1.203   1.775  0.00  0.00    +0.105 C 
ATOM     21  C   LIG    1       -0.833  -1.110   3.285  0.00  0.00    +0.024 C 
ENDBRANCH  17  20
BRANCH  17  22
ATOM     22  C   LIG    1       -3.152  -0.056   1.258  0.00  0.00    +0.123 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.753  -0.523  -0.085  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -5.211  -0.770  -0.059  0.00  0.00    -0.301 NA
BRANCH  24  26
ATOM     25  C   LIG    1       -7.080  -1.851  -1.349  0.00  0.00    +0.020 C 
ATOM     26  C   LIG    1       -5.630  -1.379  -1.335  0.00  0.00    +0.081 C 
ENDBRANCH  24  26
BRANCH  24  27
ATOM     27  C   LIG    1       -5.997   0.417   0.319  0.00  0.00    +0.081 C 
ATOM     28  C   LIG    1       -5.905   1.623  -0.612  0.00  0.00    +0.020 C 
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH   1  18
BRANCH   2  29
ATOM     29  C   LIG    1        0.897   0.141  -1.795  0.00  0.00    +0.033 C 
ATOM     30  C   LIG    1       -0.280   0.867  -2.452  0.00  0.00    +0.014 C 
ATOM     31  C   LIG    1        0.635  -1.365  -1.765  0.00  0.00    +0.014 C 
ENDBRANCH   2  29
TORSDOF 10