REMARK  Name = BDB007276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.824  -1.380  -1.134  0.00  0.00    +0.284 C 
ATOM      2  N   LIG    1       -0.007  -0.267  -0.823  0.00  0.00    -0.181 N 
ATOM      3  C   LIG    1        1.387  -0.140  -0.744  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        1.628   1.206  -0.581  0.00  0.00    +0.075 A 
ATOM      5  C   LIG    1        0.366   1.838  -0.491  0.00  0.00    +0.113 A 
ATOM      6  N   LIG    1       -0.617   0.943  -0.653  0.00  0.00    -0.160 NA
ATOM      7  O   LIG    1       -0.309  -2.398  -1.599  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1       -2.899  -1.045   0.241  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1       -2.296  -1.377  -0.978  0.00  0.00    +0.083 A 
ATOM     10  C   LIG    1       -3.081  -1.749  -2.079  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1       -4.471  -1.765  -1.967  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.075  -1.429  -0.756  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -4.293  -1.081   0.349  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -2.459   0.408   2.012  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -2.102  -0.795   1.327  0.00  0.00    -0.494 OA
ENDBRANCH   8  15
ENDBRANCH   1   9
BRANCH   5  16
ATOM     16  C   LIG    1        0.094   3.263  -0.256  0.00  0.00    +0.091 A 
ATOM     17  N   LIG    1       -1.043   3.566   0.424  0.00  0.00    -0.253 NA
ATOM     18  C   LIG    1       -1.303   4.870   0.652  0.00  0.00    +0.111 A 
ATOM     19  C   LIG    1       -0.477   5.904   0.243  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        0.685   5.581  -0.446  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        0.979   4.243  -0.701  0.00  0.00    +0.030 A 
ENDBRANCH   5  16
BRANCH   3  22
ATOM     22  N   LIG    1        2.331  -1.126  -0.821  0.00  0.00    -0.324 N 
ATOM     23  H   LIG    1        3.306  -0.836  -0.765  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1        2.138  -2.428  -0.176  0.00  0.00    +0.145 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.362  -2.898   0.566  0.00  0.00    +0.008 A 
ATOM     26  S   LIG    1        3.679  -2.332   2.156  0.00  0.00    -0.080 S 
ATOM     27  C   LIG    1        5.103  -3.241   2.249  0.00  0.00    +0.078 A 
ATOM     28 CL   LIG    1        6.060  -3.186   3.673  0.00  0.00    -0.076 Cl
ATOM     29  C   LIG    1        5.364  -3.965   1.115  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1        4.350  -3.764   0.131  0.00  0.00    +0.014 A 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 6