REMARK  Name = BDB013309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.668  -1.056  -0.416  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1        1.204   0.322   0.065  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1        1.956   1.084   0.668  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1       -0.113   0.645  -0.272  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -0.899  -0.341  -1.033  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -0.817  -1.761  -0.373  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        0.649  -2.129  -0.014  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -2.279   0.083  -1.536  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -3.396   0.233  -0.702  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -4.638   0.624  -1.215  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -4.779   0.877  -2.574  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -6.305   1.359  -3.204  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -3.688   0.745  -3.425  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -2.449   0.353  -2.910  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -1.711  -2.008   0.838  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -2.765  -2.934   0.747  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -3.597  -3.170   1.842  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -4.887  -4.301   1.704  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -3.394  -2.497   3.043  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1       -2.349  -1.582   3.151  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1       -1.514  -1.340   2.058  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        3.056  -1.386   0.152  0.00  0.00    +0.108 C 
BRANCH  22  25
ATOM     23  N   LIG    1        5.355  -0.633   0.086  0.00  0.00    -0.305 N 
ATOM     24  H   LIG    1        5.309  -0.741   1.093  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        4.157  -0.654  -0.595  0.00  0.00    +0.214 C 
ATOM     26  O   LIG    1        4.015  -0.195  -1.724  0.00  0.00    -0.276 OA
BRANCH  23  27
ATOM     27  C   LIG    1        6.471   0.160  -0.410  0.00  0.00    +0.224 C 
BRANCH  27  29
ATOM     28  O   LIG    1        6.130   1.697   1.463  0.00  0.00    -0.249 OA
ATOM     29  C   LIG    1        6.525   1.487   0.325  0.00  0.00    +0.322 C 
BRANCH  29  30
ATOM     30  O   LIG    1        7.144   2.457  -0.376  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1        7.086   3.244   0.207  0.00  0.00    +0.295 HD
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  22  25
ENDBRANCH   1  22
BRANCH   4  32
ATOM     32  C   LIG    1       -0.548   2.030  -0.092  0.00  0.00    +0.112 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -1.184   2.231   1.252  0.00  0.00    +0.006 C 
ATOM     34  C   LIG    1       -0.357   2.565   2.468  0.00  0.00    +0.005 C 
ATOM     35  C   LIG    1       -1.242   3.613   1.854  0.00  0.00    +0.005 C 
ENDBRANCH  32  33
ENDBRANCH   4  32
TORSDOF 9