REMARK  Name = BDB034915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.665  -0.559  -2.058  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -0.285  -1.248  -1.536  0.00  0.00    +0.154 C 
ATOM      3  N   LIG    1       -1.426  -0.954  -0.788  0.00  0.00    -0.274 N 
ATOM      4  C   LIG    1       -2.144  -2.167  -0.309  0.00  0.00    +0.116 C 
ATOM      5  C   LIG    1       -1.858  -3.279  -1.323  0.00  0.00    +0.102 C 
ATOM      6  S   LIG    1       -0.137  -3.000  -1.798  0.00  0.00    -0.091 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.360   0.052   0.220  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -2.199   1.184   0.191  0.00  0.00    +0.062 A 
ATOM      9 CL   LIG    1       -3.374   1.410  -1.057  0.00  0.00    -0.082 Cl
ATOM     10  C   LIG    1       -2.103   2.170   1.179  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -1.170   2.043   2.207  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -0.333   0.931   2.252  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -0.428  -0.057   1.270  0.00  0.00    +0.025 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     14  O   LIG    1       -0.277   1.453  -2.605  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        0.566   0.799  -2.003  0.00  0.00    +0.271 C 
BRANCH  15  16
ATOM     16  C   LIG    1        1.594   1.421  -1.167  0.00  0.00    +0.065 A 
ATOM     17  C   LIG    1        2.716   0.841  -0.482  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1        3.346   1.870   0.212  0.00  0.00    +0.139 A 
ATOM     19  N   LIG    1        4.429   1.789   1.007  0.00  0.00    -0.237 NA
ATOM     20  C   LIG    1        4.928   0.536   1.091  0.00  0.00    +0.113 A 
ATOM     21  C   LIG    1        4.414  -0.583   0.452  0.00  0.00    +0.020 A 
ATOM     22  N   LIG    1        2.676   3.031  -0.045  0.00  0.00    -0.345 N 
ATOM     23  H   LIG    1        2.945   3.927   0.335  0.00  0.00    +0.167 HD
ATOM     24  C   LIG    1        3.283  -0.441  -0.353  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        1.619   2.780  -0.875  0.00  0.00    +0.098 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   4  26
ATOM     26  C   LIG    1       -3.661  -1.957  -0.185  0.00  0.00    +0.179 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -4.301  -3.174   0.194  0.00  0.00    -0.393 OA
ATOM     28  H   LIG    1       -5.254  -2.982   0.265  0.00  0.00    +0.209 HD
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 5