REMARK  Name = BDB034909
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.569  -0.050   2.136  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -0.138   0.947   1.742  0.00  0.00    +0.154 C 
ATOM      3  N   LIG    1       -1.051   1.197   0.733  0.00  0.00    -0.277 N 
ATOM      4  C   LIG    1       -1.793   2.453   0.897  0.00  0.00    +0.124 C 
ATOM      5  C   LIG    1       -0.821   3.445   1.515  0.00  0.00    +0.096 C 
ATOM      6  S   LIG    1        0.141   2.443   2.678  0.00  0.00    -0.091 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.817   0.230   0.039  0.00  0.00    +0.096 A 
ATOM      8  C   LIG    1       -1.770   0.145  -1.367  0.00  0.00    +0.066 A 
ATOM      9 CL   LIG    1       -0.716   1.163  -2.289  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -2.562  -0.775  -2.064  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -3.424  -1.623  -1.370  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -3.490  -1.558   0.019  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -2.692  -0.644   0.704  0.00  0.00    +0.140 A 
BRANCH  13  14
ATOM     14  O   LIG    1       -2.762  -0.645   2.071  0.00  0.00    -0.505 OA
ATOM     15  H   LIG    1       -2.064  -1.278   2.352  0.00  0.00    +0.292 HD
ENDBRANCH  13  14
ENDBRANCH   3   7
BRANCH   1  17
ATOM     16  O   LIG    1       -0.385  -2.087   1.854  0.00  0.00    -0.268 OA
ATOM     17  C   LIG    1        0.422  -1.236   1.489  0.00  0.00    +0.271 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.300  -1.417   0.335  0.00  0.00    +0.065 A 
ATOM     19  C   LIG    1        2.427  -0.645  -0.109  0.00  0.00    +0.031 A 
ATOM     20  C   LIG    1        2.884  -1.232  -1.286  0.00  0.00    +0.139 A 
ATOM     21  N   LIG    1        3.915  -0.842  -2.058  0.00  0.00    -0.237 NA
ATOM     22  C   LIG    1        4.546   0.253  -1.580  0.00  0.00    +0.113 A 
ATOM     23  C   LIG    1        4.212   0.936  -0.420  0.00  0.00    +0.020 A 
ATOM     24  N   LIG    1        2.101  -2.317  -1.555  0.00  0.00    -0.345 N 
ATOM     25  H   LIG    1        2.236  -2.916  -2.356  0.00  0.00    +0.167 HD
ATOM     26  C   LIG    1        3.133   0.486   0.342  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        1.147  -2.449  -0.584  0.00  0.00    +0.098 A 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 4