REMARK  Name = BDB003097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.643   0.152   1.377  0.00  0.00    +0.206 A 
ATOM      2  N   LIG    1        0.480   0.416   0.683  0.00  0.00    -0.130 NA
ATOM      3  N   LIG    1        0.304  -0.387  -0.387  0.00  0.00    -0.154 N 
ATOM      4  N   LIG    1       -0.781  -1.180  -0.339  0.00  0.00    -0.045 NA
ATOM      5  N   LIG    1       -1.409  -0.821   0.768  0.00  0.00    -0.108 NA
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -2.220   0.488   3.333  0.00  0.00    +0.045 A 
ATOM      7  C   LIG    1       -1.021   0.795   2.638  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -0.149   1.766   3.175  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -0.446   2.427   4.365  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.621   2.128   5.039  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -2.500   1.170   4.526  0.00  0.00    +0.024 A 
BRANCH   6  14
ATOM     12  O   LIG    1       -4.772  -0.658   4.441  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -4.295  -0.953   3.352  0.00  0.00    +0.248 C 
ATOM     14  N   LIG    1       -3.114  -0.485   2.809  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1       -2.804  -0.931   1.950  0.00  0.00    +0.155 HD
BRANCH  13  16
ATOM     16  C   LIG    1       -5.024  -1.952   2.513  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1       -4.989  -1.922   1.111  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1       -5.692  -2.878   0.372  0.00  0.00    +0.021 A 
ATOM     19  C   LIG    1       -6.437  -3.857   1.029  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -7.300  -5.031   0.115  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -6.493  -3.885   2.421  0.00  0.00    +0.021 A 
ATOM     22  C   LIG    1       -5.791  -2.931   3.163  0.00  0.00    +0.014 A 
ENDBRANCH  13  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   3  23
ATOM     23  C   LIG    1        1.334  -0.564  -1.389  0.00  0.00    +0.264 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.274   0.549  -2.410  0.00  0.00    +0.243 C 
ATOM     25  N   LIG    1        2.475   1.062  -2.928  0.00  0.00    -0.270 N 
ATOM     26  C   LIG    1        3.755   0.424  -2.904  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1        4.924   1.209  -2.942  0.00  0.00    -0.026 A 
ATOM     28  C   LIG    1        6.189   0.605  -2.858  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        6.305  -0.780  -2.802  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.161  -1.568  -2.847  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        4.829   2.705  -3.065  0.00  0.00    +0.038 C 
ATOM     32  C   LIG    1        3.666   3.027  -3.985  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1        3.898  -0.970  -2.909  0.00  0.00    +0.024 A 
ATOM     34  C   LIG    1        2.386   2.446  -3.408  0.00  0.00    +0.114 C 
ATOM     35  O   LIG    1        0.187   1.041  -2.733  0.00  0.00    -0.273 OA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 5