REMARK  Name = BDB033468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.865  -2.884   0.752  0.00  0.00    -0.212 N 
ATOM      2  H   LIG    1       -1.556  -3.606   0.960  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.401  -1.796  -0.002  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1       -2.296  -0.832   0.484  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -2.867   0.151  -0.340  0.00  0.00    +0.022 A 
ATOM      6  C   LIG    1       -3.711   0.949   0.497  0.00  0.00    +0.077 A 
ATOM      7  C   LIG    1       -3.634   0.451   1.778  0.00  0.00    +0.102 A 
ATOM      8  C   LIG    1       -2.538   0.172  -1.724  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -3.091   1.186  -2.690  0.00  0.00    +0.044 C 
ATOM     10  C   LIG    1       -1.665  -0.820  -2.210  0.00  0.00    +0.006 A 
ATOM     11  N   LIG    1       -2.782  -0.617   1.758  0.00  0.00    -0.358 N 
ATOM     12  H   LIG    1       -2.485  -1.145   2.576  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1       -1.124  -1.788  -1.370  0.00  0.00    +0.027 A 
BRANCH   6  14
ATOM     14  C   LIG    1       -4.508   2.075   0.121  0.00  0.00    +0.101 C 
ATOM     15  N   LIG    1       -5.153   2.989  -0.187  0.00  0.00    -0.191 NA
ENDBRANCH   6  14
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  S   LIG    1        0.019  -2.536   2.158  0.00  0.00    +0.096 S 
ATOM     17  O   LIG    1        0.776  -3.729   2.479  0.00  0.00    -0.148 OA
ATOM     18  O   LIG    1       -0.921  -1.995   3.124  0.00  0.00    -0.148 OA
BRANCH  16  21
ATOM     19  C   LIG    1        3.033   0.002   0.841  0.00  0.00    +0.095 A 
ATOM     20  S   LIG    1        2.408  -1.590   0.645  0.00  0.00    -0.042 S 
ATOM     21  C   LIG    1        1.205  -1.253   1.810  0.00  0.00    +0.236 A 
ATOM     22  N   LIG    1        1.218  -0.039   2.329  0.00  0.00    -0.228 NA
ATOM     23  C   LIG    1        2.261   0.675   1.770  0.00  0.00    +0.133 A 
BRANCH  19  27
ATOM     24  C   LIG    1        5.980   2.091  -0.134  0.00  0.00    +0.128 C 
ATOM     25  N   LIG    1        4.771   1.610   0.489  0.00  0.00    -0.314 N 
ATOM     26  H   LIG    1        4.532   1.986   1.395  0.00  0.00    +0.149 HD
ATOM     27  C   LIG    1        4.181   0.431   0.066  0.00  0.00    +0.252 C 
ATOM     28  O   LIG    1        4.628  -0.192  -0.895  0.00  0.00    -0.270 OA
ENDBRANCH  19  27
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 5