REMARK  Name = BDB000764
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.190  -3.259   4.831  0.00  0.00    +0.068 C 
ATOM      2  C   LIG    1        0.359  -2.658   3.485  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -0.475  -1.716   2.847  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.102  -1.504   1.596  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -0.550  -0.699   0.651  0.00  0.00    +0.072 A 
ATOM      6  C   LIG    1       -1.736  -0.077   1.044  0.00  0.00    +0.121 A 
ATOM      7  N   LIG    1       -2.254  -0.230   2.276  0.00  0.00    -0.240 NA
ATOM      8  N   LIG    1        1.280  -2.246   1.595  0.00  0.00    -0.232 N 
ATOM      9  C   LIG    1       -1.655  -1.048   3.174  0.00  0.00    +0.124 A 
ATOM     10  N   LIG    1        1.377  -3.028   2.707  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.342  -2.277   0.641  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        2.538  -1.245  -0.286  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        3.593  -1.303  -1.214  0.00  0.00    -0.044 A 
ATOM     14  C   LIG    1        4.465  -2.398  -1.192  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        4.289  -3.412  -0.253  0.00  0.00    +0.043 A 
ATOM     16 CL   LIG    1        5.378  -4.745  -0.228  0.00  0.00    -0.083 Cl
ATOM     17  C   LIG    1        3.242  -3.355   0.665  0.00  0.00    +0.047 A 
BRANCH  13  18
ATOM     18  C   LIG    1        3.812  -0.174  -2.192  0.00  0.00    +0.044 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.726   0.901  -1.611  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.937   2.034  -2.588  0.00  0.00    +0.211 C 
ATOM     21  O   LIG    1        4.437   2.096  -3.704  0.00  0.00    -0.276 OA
ATOM     22  N   LIG    1        5.750   3.027  -2.126  0.00  0.00    -0.329 N 
ATOM     23  H   LIG    1        5.952   3.797  -2.751  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        6.246   2.971  -1.248  0.00  0.00    +0.145 HD
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  13  18
ENDBRANCH   8  11
BRANCH   6  25
ATOM     25  N   LIG    1       -2.360   0.760   0.104  0.00  0.00    -0.322 N 
ATOM     26  H   LIG    1       -2.492   0.232  -0.755  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.621   1.386   0.521  0.00  0.00    +0.099 C 
ATOM     28  C   LIG    1       -3.355   2.633   1.370  0.00  0.00    +0.033 C 
BRANCH  27  29
ATOM     29  C   LIG    1       -4.409   1.754  -0.733  0.00  0.00    -0.028 A 
ATOM     30  C   LIG    1       -3.870   2.604  -1.714  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.601   2.926  -2.859  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.879   2.403  -3.040  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.427   1.556  -2.079  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -5.697   1.232  -0.933  0.00  0.00    +0.005 A 
ENDBRANCH  27  29
ENDBRANCH  25  27
ENDBRANCH   6  25
TORSDOF 7