REMARK  Name = BDB033455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.250  -0.870   2.650  0.00  0.00    -0.211 N 
ATOM      2  H   LIG    1       -1.563  -1.531   3.365  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1       -2.033  -0.153  -1.935  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -1.589  -1.196  -1.072  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -1.644  -0.696   0.231  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -1.256  -1.454   1.344  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1       -0.798  -2.756   1.126  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -0.742  -3.283  -0.163  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -2.130   0.591   0.153  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1       -2.288   1.187   0.956  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -1.132  -2.517  -1.268  0.00  0.00    +0.011 A 
ATOM     12  C   LIG    1       -2.357   0.934  -1.153  0.00  0.00    +0.102 A 
BRANCH   3  14
ATOM     13  N   LIG    1       -2.195  -0.231  -4.519  0.00  0.00    -0.191 NA
ATOM     14  C   LIG    1       -2.127  -0.196  -3.361  0.00  0.00    +0.101 C 
ENDBRANCH   3  14
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  S   LIG    1        0.265  -0.283   3.181  0.00  0.00    +0.107 S 
ATOM     16  O   LIG    1        1.228  -1.361   3.120  0.00  0.00    -0.147 OA
ATOM     17  O   LIG    1        0.011   0.425   4.418  0.00  0.00    -0.147 OA
BRANCH  15  18
ATOM     18  C   LIG    1        0.828   0.954   2.049  0.00  0.00    +0.281 A 
ATOM     19  O   LIG    1        1.249   0.659   0.767  0.00  0.00    -0.421 OA
ATOM     20  C   LIG    1        1.544   1.865   0.199  0.00  0.00    +0.201 A 
ATOM     21  N   LIG    1        1.358   2.895   0.996  0.00  0.00    -0.219 NA
ATOM     22  C   LIG    1        0.925   2.327   2.166  0.00  0.00    +0.182 A 
BRANCH  20  23
ATOM     23  C   LIG    1        2.039   2.020  -1.270  0.00  0.00    +0.075 C 
ATOM     24  C   LIG    1        1.845   0.888  -2.245  0.00  0.00    +0.013 C 
ATOM     25  C   LIG    1        3.220   1.209  -1.734  0.00  0.00    +0.013 C 
ENDBRANCH  20  23
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5