REMARK  Name = BDB057029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.853   0.134  -0.141  0.00  0.00    -0.290 N 
ATOM      2  H   LIG    1        0.841   0.478   0.818  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        3.965  -1.161  -3.577  0.00  0.00    +0.067 C 
ATOM      4  C   LIG    1        3.761  -0.657  -2.177  0.00  0.00    +0.057 A 
ATOM      5  N   LIG    1        2.438  -0.492  -1.797  0.00  0.00    -0.232 NA
ATOM      6  C   LIG    1        2.148  -0.056  -0.594  0.00  0.00    +0.167 A 
ATOM      7  C   LIG    1        3.244   0.244   0.317  0.00  0.00    +0.179 A 
ATOM      8  N   LIG    1        4.544   0.071  -0.087  0.00  0.00    -0.295 N 
ATOM      9  C   LIG    1        5.334   0.435   0.982  0.00  0.00    +0.076 A 
ATOM     10  C   LIG    1        4.437   0.807   1.970  0.00  0.00    +0.140 A 
ATOM     11  N   LIG    1        3.135   0.687   1.552  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        4.801  -0.390  -1.363  0.00  0.00    +0.116 A 
BRANCH   9  13
ATOM     13  C   LIG    1        6.878   0.448   1.115  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        7.563   0.835   2.244  0.00  0.00    +0.115 A 
ATOM     15  N   LIG    1        8.889   0.700   1.950  0.00  0.00    -0.284 N 
ATOM     16  H   LIG    1        9.689   0.894   2.545  0.00  0.00    +0.188 HD
ATOM     17  N   LIG    1        9.115   0.252   0.705  0.00  0.00    -0.182 NA
ATOM     18  C   LIG    1        7.887   0.099   0.198  0.00  0.00    +0.144 A 
ENDBRANCH   9  13
ENDBRANCH   1   6
BRANCH   1  19
ATOM     19  C   LIG    1       -0.345  -0.053  -0.752  0.00  0.00    +0.091 A 
ATOM     20  S   LIG    1       -0.622  -0.603  -2.353  0.00  0.00    +0.027 S 
ATOM     21  N   LIG    1       -2.273  -0.544  -2.301  0.00  0.00    -0.212 NA
ATOM     22  C   LIG    1       -2.666  -0.119  -1.094  0.00  0.00    +0.075 A 
ATOM     23  C   LIG    1       -1.586   0.171  -0.185  0.00  0.00    +0.058 A 
BRANCH  22  24
ATOM     24  C   LIG    1       -4.162  -0.004  -0.836  0.00  0.00    +0.155 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.401   1.420  -0.307  0.00  0.00    +0.064 A 
ATOM     26  N   LIG    1       -4.059   1.731   0.978  0.00  0.00    -0.258 NA
ATOM     27  C   LIG    1       -4.285   2.994   1.404  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -4.829   3.989   0.613  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1       -5.166   3.674  -0.696  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -4.952   2.379  -1.163  0.00  0.00    +0.025 A 
ENDBRANCH  24  25
BRANCH  24  31
ATOM     31  N   LIG    1       -4.766  -1.103  -0.053  0.00  0.00    -0.289 NA
ATOM     32  C   LIG    1       -4.351  -1.262   1.335  0.00  0.00    +0.085 C 
ATOM     33  C   LIG    1       -4.859  -2.654   1.709  0.00  0.00    +0.017 C 
ATOM     34  C   LIG    1       -5.209  -3.330   0.389  0.00  0.00    +0.017 C 
ATOM     35  C   LIG    1       -4.623  -2.418  -0.673  0.00  0.00    +0.085 C 
ENDBRANCH  24  31
ENDBRANCH  22  24
ENDBRANCH   1  19
TORSDOF 6