REMARK  Name = BDB009589
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.471   0.562   0.444  0.00  0.00    +0.084 C 
ATOM      2  C   LIG    1        0.599   1.795   0.634  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1        1.074   2.878   0.969  0.00  0.00    -0.275 OA
ATOM      4  N   LIG    1       -0.759   1.599   0.364  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -1.206   0.306  -0.205  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -0.598  -0.920   0.562  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1        0.796  -0.614   1.151  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -2.722   0.155  -0.343  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -3.560   0.036   0.780  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -4.939  -0.126   0.628  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -5.495  -0.174  -0.647  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -7.193  -0.374  -0.834  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -4.683  -0.060  -1.772  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -3.304   0.104  -1.621  0.00  0.00    +0.007 A 
ENDBRANCH   5   8
BRANCH   6  15
ATOM     15  C   LIG    1       -0.610  -2.178  -0.307  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -1.648  -3.114  -0.152  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1       -1.701  -4.256  -0.951  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1       -2.986  -5.383  -0.744  0.00  0.00    -0.084 Cl
ATOM     19  C   LIG    1       -0.726  -4.490  -1.915  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        0.309  -3.572  -2.081  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        0.365  -2.424  -1.287  0.00  0.00    +0.004 A 
ENDBRANCH   6  15
BRANCH   1  22
ATOM     22  C   LIG    1        2.891   0.803   0.974  0.00  0.00    +0.108 C 
BRANCH  22  25
ATOM     23  N   LIG    1        5.142  -0.068   0.981  0.00  0.00    -0.305 N 
ATOM     24  H   LIG    1        5.363   0.823   1.412  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        3.889  -0.195   0.422  0.00  0.00    +0.214 C 
ATOM     26  O   LIG    1        3.615  -1.027  -0.435  0.00  0.00    -0.276 OA
BRANCH  23  27
ATOM     27  C   LIG    1        6.263  -0.827   0.447  0.00  0.00    +0.224 C 
BRANCH  27  29
ATOM     28  O   LIG    1        6.852   1.147  -0.884  0.00  0.00    -0.249 OA
ATOM     29  C   LIG    1        6.943  -0.052  -0.669  0.00  0.00    +0.322 C 
BRANCH  29  30
ATOM     30  O   LIG    1        7.760  -0.822  -1.417  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1        8.122  -0.205  -2.088  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       -1.582   2.805   0.235  0.00  0.00    +0.112 C 
BRANCH  32  33
ATOM     33  C   LIG    1       -2.433   3.043   1.450  0.00  0.00    +0.006 C 
ATOM     34  C   LIG    1       -1.902   2.901   2.859  0.00  0.00    +0.005 C 
ATOM     35  C   LIG    1       -2.196   4.264   2.308  0.00  0.00    +0.005 C 
ENDBRANCH  32  33
ENDBRANCH   4  32
TORSDOF 9