REMARK  Name = BDB049749
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.974  -0.755  -0.383  0.00  0.00    +0.036 A 
ATOM      2  C   LIG    1        0.073  -1.662  -0.633  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        1.424  -1.288  -0.532  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1        1.750   0.026  -0.148  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        0.707   0.934   0.091  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -0.631   0.545  -0.015  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.129   0.517  -0.006  0.00  0.00    +0.113 A 
ATOM      8  S   LIG    1        4.256  -0.299   1.008  0.00  0.00    -0.067 S 
ATOM      9  C   LIG    1        5.445   0.894   0.659  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        4.887   1.855  -0.185  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        5.687   2.941  -0.597  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1        7.013   3.034  -0.161  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1        7.548   2.063   0.680  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        6.775   0.978   1.104  0.00  0.00    +0.017 A 
ATOM     15  N   LIG    1        3.566   1.643  -0.536  0.00  0.00    -0.239 NA
ENDBRANCH   4   7
BRANCH   1  16
ATOM     16  N   LIG    1       -2.298  -1.217  -0.471  0.00  0.00    -0.299 N 
ATOM     17  H   LIG    1       -2.405  -2.096  -0.956  0.00  0.00    +0.154 HD
BRANCH  16  24
ATOM     18  C   LIG    1       -4.792   0.952   1.056  0.00  0.00    +0.321 A 
ATOM     19  N   LIG    1       -5.997   0.437   0.776  0.00  0.00    -0.177 NA
ATOM     20  C   LIG    1       -5.902  -0.676   0.041  0.00  0.00    +0.147 A 
ATOM     21  C   LIG    1       -4.742  -1.280  -0.414  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1       -5.151  -2.435  -1.146  0.00  0.00    +0.032 A 
ATOM     23  C   LIG    1       -6.529  -2.491  -1.111  0.00  0.00    +0.085 A 
ATOM     24  C   LIG    1       -3.524  -0.659  -0.074  0.00  0.00    +0.139 A 
ATOM     25  N   LIG    1       -6.971  -1.413  -0.387  0.00  0.00    -0.346 N 
ATOM     26  H   LIG    1       -7.932  -1.177  -0.184  0.00  0.00    +0.167 HD
ATOM     27  N   LIG    1       -3.591   0.471   0.675  0.00  0.00    -0.179 NA
BRANCH  18  29
ATOM     28  C   LIG    1       -3.565   2.612   2.159  0.00  0.00    +0.280 C 
ATOM     29  O   LIG    1       -4.847   2.098   1.824  0.00  0.00    -0.466 OA
ENDBRANCH  18  29
ENDBRANCH  16  24
ENDBRANCH   1  16
BRANCH   3  30
ATOM     30  O   LIG    1        2.472  -2.130  -0.809  0.00  0.00    -0.494 OA
ATOM     31  C   LIG    1        2.178  -3.459  -1.215  0.00  0.00    +0.277 C 
ENDBRANCH   3  30
TORSDOF 5