REMARK  Name = BDB034856
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.019  -2.032   1.707  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -1.087  -1.961   0.995  0.00  0.00    +0.154 C 
ATOM      3  N   LIG    1       -1.607  -1.043   0.100  0.00  0.00    -0.280 N 
ATOM      4  C   LIG    1       -2.794  -1.502  -0.633  0.00  0.00    +0.124 C 
ATOM      5  C   LIG    1       -3.504  -2.511   0.259  0.00  0.00    +0.096 C 
ATOM      6  S   LIG    1       -2.156  -3.379   1.101  0.00  0.00    -0.091 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.519   0.362   0.230  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -1.263   1.204  -0.874  0.00  0.00    +0.062 A 
ATOM      9 CL   LIG    1       -0.957   0.560  -2.453  0.00  0.00    -0.082 Cl
ATOM     10  C   LIG    1       -1.205   2.594  -0.725  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -1.399   3.171   0.528  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -1.647   2.359   1.631  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -1.708   0.971   1.483  0.00  0.00    +0.025 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     14  O   LIG    1        1.006  -0.144   2.466  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        0.884  -1.008   1.607  0.00  0.00    +0.270 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.774  -1.011   0.414  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1        2.384   0.177  -0.034  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1        3.174   0.079  -1.175  0.00  0.00    +0.139 A 
ATOM     19  N   LIG    1        3.664   1.322  -1.464  0.00  0.00    -0.346 N 
ATOM     20  H   LIG    1        4.270   1.515  -2.248  0.00  0.00    +0.167 HD
ATOM     21  C   LIG    1        3.208   2.228  -0.542  0.00  0.00    +0.085 A 
ATOM     22  N   LIG    1        3.436  -1.022  -1.901  0.00  0.00    -0.237 NA
ATOM     23  C   LIG    1        2.835  -2.132  -1.421  0.00  0.00    +0.114 A 
ATOM     24  C   LIG    1        2.414   1.547   0.357  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        2.017  -2.189  -0.304  0.00  0.00    +0.033 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 3