REMARK  Name = BDB033811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.472   1.158   2.410  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1       -1.867   0.239   1.461  0.00  0.00    +0.223 A 
ATOM      3  N   LIG    1       -1.031  -0.350   0.589  0.00  0.00    -0.179 NA
ATOM      4  C   LIG    1        0.265  -0.012   0.654  0.00  0.00    +0.223 A 
ATOM      5  N   LIG    1        0.746   0.878   1.531  0.00  0.00    -0.222 NA
ATOM      6  C   LIG    1       -0.127   1.442   2.386  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.124   3.010   2.738  0.00  0.00    +0.009 C 
ATOM      8  C   LIG    1       -2.406   1.827   3.370  0.00  0.00    +0.038 C 
ENDBRANCH   1   8
BRANCH   4   9
ATOM      9  N   LIG    1        1.081  -0.652  -0.275  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        0.515  -1.283  -0.823  0.00  0.00    +0.155 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.458  -0.656  -0.522  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        2.940  -1.415  -1.604  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        4.301  -1.451  -1.923  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        5.201  -0.707  -1.162  0.00  0.00    +0.105 A 
ATOM     15  C   LIG    1        4.754   0.045  -0.077  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        3.388   0.072   0.229  0.00  0.00    +0.025 A 
BRANCH  14  17
ATOM     17  S   LIG    1        6.931  -0.758  -1.557  0.00  0.00    +0.058 S 
ATOM     18  O   LIG    1        7.216  -2.052  -2.135  0.00  0.00    -0.153 OA
ATOM     19  O   LIG    1        7.672  -0.247  -0.425  0.00  0.00    -0.153 OA
BRANCH  17  20
ATOM     20  N   LIG    1        7.049   0.353  -2.804  0.00  0.00    -0.193 NA
ATOM     21  H   LIG    1        6.989  -0.044  -3.738  0.00  0.00    +0.148 HD
ATOM     22  C   LIG    1        6.678   1.742  -2.588  0.00  0.00    +0.127 C 
ENDBRANCH  17  20
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   4   9
BRANCH   2  23
ATOM     23  O   LIG    1       -3.212  -0.078   1.422  0.00  0.00    -0.470 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.605  -0.993   0.383  0.00  0.00    +0.208 C 
ATOM     25  C   LIG    1       -4.937  -1.622   0.815  0.00  0.00    +0.181 C 
ATOM     26  C   LIG    1       -5.441  -2.585  -0.270  0.00  0.00    +0.194 C 
ATOM     27  O   LIG    1       -4.887  -2.309  -1.566  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1       -4.828  -0.912  -1.837  0.00  0.00    +0.163 C 
ATOM     29  C   LIG    1       -3.784  -0.248  -0.947  0.00  0.00    +0.075 C 
BRANCH  25  30
ATOM     30  O   LIG    1       -5.914  -0.585   1.023  0.00  0.00    -0.386 OA
ATOM     31  H   LIG    1       -5.487   0.070   1.607  0.00  0.00    +0.210 HD
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 8