REMARK  Name = BDB012222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.459   0.603  -0.037  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.921   1.664   0.265  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1        0.440   1.870   0.218  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1        0.809   2.707   0.653  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.366   0.788  -0.086  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1        1.618  -0.079   1.155  0.00  0.00    +0.026 C 
ATOM      7  C   LIG    1        2.646  -1.170   0.877  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1        3.965  -0.594   0.345  0.00  0.00    +0.174 C 
ATOM      9  C   LIG    1        3.700   0.252  -0.905  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1        2.680   1.354  -0.636  0.00  0.00    +0.026 C 
BRANCH   8  11
ATOM     11  O   LIG    1        4.802  -1.706   0.018  0.00  0.00    -0.489 OA
BRANCH  11  12
ATOM     12  C   LIG    1        6.159  -1.565   0.073  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        6.869  -2.751  -0.143  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        8.265  -2.764  -0.120  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        8.958  -1.581   0.118  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       10.677  -1.585   0.149  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        8.263  -0.392   0.330  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        6.863  -0.383   0.306  0.00  0.00    +0.047 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  19
ATOM     19  C   LIG    1       -1.697   2.895   0.698  0.00  0.00    +0.096 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.195   2.625   0.854  0.00  0.00    +0.017 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.901   2.374  -0.483  0.00  0.00    +0.075 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.756   1.128  -0.435  0.00  0.00    +0.110 A 
ATOM     23  N   LIG    1       -4.084  -0.063  -0.387  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -3.063  -0.075  -0.352  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1       -4.711  -1.281  -0.318  0.00  0.00    +0.259 A 
ATOM     26  O   LIG    1       -4.101  -2.341  -0.246  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -6.183  -1.232  -0.329  0.00  0.00    +0.065 A 
ATOM     28  C   LIG    1       -6.787   0.027  -0.386  0.00  0.00    +0.078 A 
ATOM     29  C   LIG    1       -8.182   0.097  -0.395  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1       -8.954  -1.067  -0.349  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -8.336  -2.318  -0.292  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -6.945  -2.405  -0.282  0.00  0.00    +0.015 A 
ATOM     33  N   LIG    1       -6.047   1.221  -0.432  0.00  0.00    -0.234 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 7