REMARK  Name = BDB012133
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.639   0.323   0.734  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -1.674  -0.338   1.478  0.00  0.00    -0.010 A 
ATOM      3  C   LIG    1       -1.884  -1.644   2.182  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1       -0.407   0.367   1.480  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1       -0.498   1.603   0.847  0.00  0.00    +0.008 A 
ATOM      6  S   LIG    1       -2.058   1.839   0.183  0.00  0.00    -0.077 S 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        0.560   2.677   0.719  0.00  0.00    +0.042 C 
ATOM      8  C   LIG    1        0.158   4.078   1.207  0.00  0.00    +0.089 C 
ATOM      9  N   LIG    1        0.575   5.017   0.153  0.00  0.00    -0.315 NA
ATOM     10  H   LIG    1        0.958   5.870   0.558  0.00  0.00    +0.122 HD
ATOM     11  C   LIG    1        1.579   4.322  -0.650  0.00  0.00    +0.081 C 
ATOM     12  C   LIG    1        1.048   2.903  -0.709  0.00  0.00    +0.025 C 
ENDBRANCH   5   7
BRANCH   4  13
ATOM     13  C   LIG    1        0.812  -0.141   2.110  0.00  0.00    +0.245 C 
ATOM     14  N   LIG    1        1.886  -0.218   1.254  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1        1.782   0.196   0.337  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        0.859  -0.489   3.285  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.219  -0.415   1.766  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.145  -0.733   0.633  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        4.686   0.460  -0.098  0.00  0.00    +0.254 A 
ATOM     20  O   LIG    1        4.327   1.604   0.165  0.00  0.00    -0.268 OA
ATOM     21  N   LIG    1        5.592   0.208  -1.097  0.00  0.00    -0.326 N 
ATOM     22  H   LIG    1        5.948   1.026  -1.577  0.00  0.00    +0.169 HD
ATOM     23  C   LIG    1        6.005  -1.045  -1.475  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1        6.992  -1.130  -2.597  0.00  0.00    +0.063 C 
ATOM     25  C   LIG    1        5.508  -2.114  -0.837  0.00  0.00    +0.024 A 
ATOM     26  C   LIG    1        4.552  -1.965   0.251  0.00  0.00    -0.039 A 
ATOM     27  C   LIG    1        4.082  -3.256   0.861  0.00  0.00    +0.044 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   4  13
BRANCH   1  28
ATOM     28  N   LIG    1       -3.920  -0.117   0.501  0.00  0.00    -0.321 N 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.228  -0.854  -0.752  0.00  0.00    +0.078 C 
ATOM     30  C   LIG    1       -3.471  -2.182  -0.852  0.00  0.00    +0.050 C 
ATOM     31  C   LIG    1       -3.864  -2.902  -2.135  0.00  0.00    +0.161 C 
ATOM     32  O   LIG    1       -3.632  -2.080  -3.277  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -4.387  -0.869  -3.242  0.00  0.00    +0.161 C 
ATOM     34  C   LIG    1       -4.013  -0.033  -2.026  0.00  0.00    +0.050 C 
ENDBRANCH  28  29
BRANCH  28  36
ATOM     35  C   LIG    1       -5.950  -0.134   1.879  0.00  0.00    +0.024 C 
ATOM     36  C   LIG    1       -5.011   0.717   1.035  0.00  0.00    +0.102 C 
ENDBRANCH  28  36
ENDBRANCH   1  28
TORSDOF 7