REMARK  Name = BDB022154
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.323  -2.006  -1.230  0.00  0.00    -0.201 N 
ATOM      2  C   LIG    1        0.613  -1.323  -0.459  0.00  0.00    +0.063 A 
ATOM      3  C   LIG    1        1.841  -1.482  -1.076  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        1.578  -2.368  -2.136  0.00  0.00    +0.148 A 
ATOM      5  N   LIG    1        0.287  -2.673  -2.258  0.00  0.00    -0.171 NA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.136  -0.962  -0.689  0.00  0.00    +0.250 C 
ATOM      7  N   LIG    1        3.347   0.412  -0.797  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        4.543   0.971  -0.165  0.00  0.00    +0.123 C 
ATOM      9  C   LIG    1        5.078   2.219  -0.892  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        4.064   3.250  -1.192  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        3.635   3.958   0.011  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        2.931   2.623  -1.898  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        2.327   1.387  -1.202  0.00  0.00    +0.123 C 
ATOM     14  O   LIG    1        4.015  -1.733  -0.312  0.00  0.00    -0.270 OA
ENDBRANCH   3   6
BRANCH   1  19
ATOM     15  C   LIG    1       -5.954  -2.181  -0.601  0.00  0.00    +0.047 C 
ATOM     16  C   LIG    1       -4.469  -2.108  -0.737  0.00  0.00    -0.006 A 
ATOM     17  C   LIG    1       -3.639  -1.361   0.081  0.00  0.00    +0.086 A 
ATOM     18  N   LIG    1       -2.299  -1.294  -0.079  0.00  0.00    -0.210 NA
ATOM     19  C   LIG    1       -1.754  -2.046  -1.054  0.00  0.00    +0.252 A 
ATOM     20  N   LIG    1       -2.480  -2.819  -1.890  0.00  0.00    -0.219 NA
ATOM     21  C   LIG    1       -3.812  -2.834  -1.708  0.00  0.00    +0.120 A 
BRANCH  17  22
ATOM     22  C   LIG    1       -4.109  -0.530   1.190  0.00  0.00    +0.038 A 
ATOM     23  S   LIG    1       -4.817  -1.253   2.575  0.00  0.00    -0.095 S 
ATOM     24  C   LIG    1       -5.034   0.262   3.338  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -4.556   1.300   2.570  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -4.011   0.841   1.336  0.00  0.00    +0.017 A 
ENDBRANCH  17  22
ENDBRANCH   1  19
BRANCH   2  27
ATOM     27  C   LIG    1        0.341  -0.530   0.856  0.00  0.00    +0.039 C 
ATOM     28  C   LIG    1        1.293  -0.630   2.019  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -0.043  -1.302   2.093  0.00  0.00    +0.010 C 
ENDBRANCH   2  27
TORSDOF 4