REMARK  Name = BDB049631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.234  -0.192  -0.066  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.091   0.861   0.309  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.408   0.484   0.472  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.683  -0.344  -0.034  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.678   2.008   0.459  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.466   1.259   0.987  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1       -4.287   2.466   1.666  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -5.389   3.170   2.164  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1       -6.674   2.664   1.989  0.00  0.00    +0.041 A 
ATOM     10 CL   LIG    1       -8.028   3.528   2.603  0.00  0.00    -0.084 Cl
ATOM     11  C   LIG    1       -6.867   1.457   1.322  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1       -5.764   0.756   0.826  0.00  0.00    +0.025 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     13  N   LIG    1        2.985   0.259  -0.519  0.00  0.00    -0.300 NA
ATOM     14  C   LIG    1        2.363  -0.948  -1.053  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1        0.887  -0.686  -1.372  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        0.186   0.166  -0.294  0.00  0.00    +0.080 C 
ATOM     17  C   LIG    1        0.990   0.177   1.011  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1        2.417   0.682   0.767  0.00  0.00    +0.086 C 
BRANCH  13  19
ATOM     19  C   LIG    1        4.461   0.266  -0.597  0.00  0.00    +0.054 C 
ATOM     20  C   LIG    1        5.132  -0.782   0.300  0.00  0.00    +0.024 C 
BRANCH  19  21
ATOM     21  C   LIG    1        5.005   1.696  -0.355  0.00  0.00    +0.018 C 
BRANCH  21  23
ATOM     22  C   LIG    1        7.372   1.794   0.597  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        6.502   1.870  -0.650  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH   1  16
BRANCH   1  24
ATOM     24  C   LIG    1       -1.543  -1.584   0.289  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.466  -2.296  -0.680  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -3.239  -3.373  -0.219  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.096  -4.057  -1.082  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -4.186  -3.679  -2.420  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.415  -2.622  -2.896  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.556  -1.937  -2.034  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7