REMARK  Name = BDB003748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.852  -1.731   0.271  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1       -0.096  -0.577   0.031  0.00  0.00    +0.035 A 
ATOM      3  C   LIG    1        0.415   0.086   1.134  0.00  0.00    -0.007 A 
ATOM      4  C   LIG    1        1.231   1.352   1.212  0.00  0.00    +0.154 C 
ATOM      5  C   LIG    1        1.451   1.498   2.718  0.00  0.00    +0.230 C 
ATOM      6  N   LIG    1        0.801   0.439   3.344  0.00  0.00    -0.284 N 
ATOM      7  H   LIG    1        0.786   0.325   4.348  0.00  0.00    +0.155 HD
ATOM      8  O   LIG    1        2.092   2.363   3.289  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1        0.185  -0.392   2.424  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1       -0.544  -1.533   2.680  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -1.069  -2.215   1.580  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        2.481   1.310   0.391  0.00  0.00    +0.071 C 
ATOM     13  C   LIG    1        3.677   0.351   0.684  0.00  0.00    +0.129 C 
ATOM     14  C   LIG    1        4.435   0.683   1.963  0.00  0.00    +0.053 C 
ATOM     15  C   LIG    1        4.504   0.683  -0.528  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        3.840   1.677  -1.252  0.00  0.00    +0.070 A 
ATOM     17  C   LIG    1        4.383   2.190  -2.416  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        5.611   1.688  -2.855  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        6.273   0.682  -2.131  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        5.719   0.170  -0.956  0.00  0.00    +0.009 A 
ATOM     21  N   LIG    1        2.612   2.045  -0.685  0.00  0.00    -0.252 NA
BRANCH  13  22
ATOM     22  O   LIG    1        3.357  -1.024   0.641  0.00  0.00    -0.378 OA
ATOM     23  H   LIG    1        2.886  -1.259   1.457  0.00  0.00    +0.211 HD
ENDBRANCH  13  22
ENDBRANCH   4  12
BRANCH   1  24
ATOM     24  S   LIG    1       -1.562  -2.631  -1.093  0.00  0.00    +0.061 S 
ATOM     25  O   LIG    1       -1.127  -2.022  -2.331  0.00  0.00    -0.153 OA
ATOM     26  O   LIG    1       -1.353  -4.038  -0.828  0.00  0.00    -0.153 OA
BRANCH  24  27
ATOM     27  N   LIG    1       -3.228  -2.293  -0.913  0.00  0.00    -0.178 NA
ATOM     28  C   LIG    1       -4.097  -3.209  -1.684  0.00  0.00    +0.131 C 
BRANCH  27  29
ATOM     29  C   LIG    1       -3.620  -0.860  -1.089  0.00  0.00    +0.124 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.384  -0.387   0.166  0.00  0.00    +0.101 C 
BRANCH  30  32
ATOM     31  C   LIG    1       -3.576   1.909   0.357  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1       -4.744   1.038   0.247  0.00  0.00    -0.307 NA
ATOM     33  C   LIG    1       -5.616   1.465  -0.844  0.00  0.00    +0.104 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 7