REMARK  Name = BDB040480
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.529   1.488  -0.300  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        2.497   0.213   0.301  0.00  0.00    +0.047 A 
ATOM      3 CL   LIG    1        3.474  -1.118  -0.207  0.00  0.00    -0.083 Cl
ATOM      4  C   LIG    1        1.649  -0.061   1.387  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.810   0.919   1.921  0.00  0.00    -0.028 A 
ATOM      6  C   LIG    1        0.844   2.194   1.357  0.00  0.00    +0.025 A 
ATOM      7  C   LIG    1        1.691   2.475   0.276  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1        1.648   4.113  -0.297  0.00  0.00    -0.083 Cl
ENDROOT
BRANCH   1  15
ATOM      9  O   LIG    1        6.982  -0.102  -2.313  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        5.953   0.524  -2.075  0.00  0.00    +0.219 C 
ATOM     11  N   LIG    1        4.832   0.363  -2.849  0.00  0.00    -0.256 N 
ATOM     12  H   LIG    1        4.906  -0.346  -3.566  0.00  0.00    +0.157 HD
ATOM     13  C   LIG    1        3.557   0.799  -2.577  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1        2.596   0.333  -3.187  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        3.404   1.861  -1.498  0.00  0.00    +0.108 C 
ATOM     16  C   LIG    1        4.749   2.486  -1.106  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1        5.828   1.442  -0.884  0.00  0.00    +0.097 C 
ENDBRANCH   1  15
BRANCH   5  18
ATOM     18  C   LIG    1       -0.181   0.576   3.005  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -1.416   0.128   2.402  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -1.887   0.802   1.812  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1       -1.592  -1.208   2.074  0.00  0.00    +0.224 C 
ATOM     22  O   LIG    1       -0.865  -2.092   2.522  0.00  0.00    -0.275 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -2.748  -1.478   1.065  0.00  0.00    +0.076 C 
ATOM     24  C   LIG    1       -2.841  -3.009   0.814  0.00  0.00    +0.049 C 
ATOM     25  C   LIG    1       -4.133  -3.390   0.109  0.00  0.00    +0.161 C 
ATOM     26  O   LIG    1       -5.250  -2.995   0.902  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1       -5.316  -1.584   1.060  0.00  0.00    +0.161 C 
ATOM     28  C   LIG    1       -4.069  -1.046   1.758  0.00  0.00    +0.049 C 
BRANCH  23  29
ATOM     29  C   LIG    1       -2.403  -0.729  -0.246  0.00  0.00    -0.032 A 
ATOM     30  C   LIG    1       -1.216  -1.059  -0.935  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -0.822  -0.369  -2.083  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.604   0.670  -2.572  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.776   1.019  -1.910  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -3.170   0.332  -0.756  0.00  0.00    +0.004 A 
ENDBRANCH  23  29
ENDBRANCH  21  23
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 5