REMARK  Name = BDB002943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.866  -1.054  -0.955  0.00  0.00    +0.091 C 
ATOM      2  C   LIG    1       -0.394  -1.813  -1.195  0.00  0.00    +0.111 C 
ATOM      3  C   LIG    1       -0.981  -0.915  -2.265  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1       -1.949   0.145  -1.729  0.00  0.00    +0.160 C 
ATOM      5  N   LIG    1       -3.280  -0.433  -1.890  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1       -4.484   0.172  -1.586  0.00  0.00    +0.247 C 
ATOM      7  O   LIG    1       -5.570  -0.302  -1.912  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -3.240  -1.622  -2.749  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1       -1.820  -1.644  -3.315  0.00  0.00    +0.084 C 
ATOM     10  O   LIG    1        0.153  -0.287  -2.870  0.00  0.00    -0.385 OA
ATOM     11  N   LIG    1        1.167  -0.204  -1.887  0.00  0.00    -0.088 NA
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -4.466   1.442  -0.833  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -4.990   2.589  -1.436  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1       -5.002   3.795  -0.732  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1       -4.506   3.841   0.572  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -4.521   5.327   1.438  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -4.003   2.690   1.183  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1       -3.989   1.482   0.482  0.00  0.00    +0.014 A 
ENDBRANCH   6  12
BRANCH   1  21
ATOM     19  C   LIG    1        3.623  -0.602   1.591  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        2.805  -0.436   0.465  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1        1.703  -1.276   0.245  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        1.421  -2.299   1.152  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        2.232  -2.470   2.273  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.325  -1.625   2.491  0.00  0.00    +0.023 A 
BRANCH  19  26
ATOM     25  C   LIG    1        5.622   0.348   2.764  0.00  0.00    +0.243 C 
ATOM     26  N   LIG    1        4.711   0.289   1.729  0.00  0.00    -0.282 N 
ATOM     27  H   LIG    1        4.802   0.965   0.985  0.00  0.00    +0.155 HD
ATOM     28  O   LIG    1        5.612  -0.358   3.767  0.00  0.00    -0.270 OA
BRANCH  25  30
ATOM     29  C   LIG    1        7.467   1.671   3.654  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1        6.694   1.395   2.589  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1        6.917   2.069   1.270  0.00  0.00    +0.048 C 
ENDBRANCH  25  30
ENDBRANCH  19  26
ENDBRANCH   1  21
BRANCH   8  32
ATOM     32  C   LIG    1       -3.581  -2.875  -1.923  0.00  0.00    +0.231 C 
ATOM     33  O   LIG    1       -2.753  -3.682  -1.512  0.00  0.00    -0.274 OA
ATOM     34  N   LIG    1       -4.908  -3.022  -1.630  0.00  0.00    -0.328 N 
ATOM     35  H   LIG    1       -5.524  -2.211  -1.706  0.00  0.00    +0.145 HD
ATOM     36  H   LIG    1       -5.170  -3.751  -0.981  0.00  0.00    +0.145 HD
ENDBRANCH   8  32
TORSDOF 5