REMARK  Name = BDB049540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.308  -3.310   1.953  0.00  0.00    +0.072 C 
ATOM      2  C   LIG    1        0.426  -4.052   1.270  0.00  0.00    +0.072 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -0.157  -3.615  -0.013  0.00  0.00    +0.240 C 
ATOM      4  N   LIG    1       -1.464  -3.173   0.006  0.00  0.00    -0.295 N 
ATOM      5  C   LIG    1       -2.000  -2.612  -1.237  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1       -1.807  -1.082  -1.275  0.00  0.00    +0.124 C 
ATOM      7  N   LIG    1       -2.390  -0.451  -0.055  0.00  0.00    -0.327 N 
ATOM      8  C   LIG    1       -1.898  -1.052   1.211  0.00  0.00    +0.124 C 
ATOM      9  C   LIG    1       -2.101  -2.586   1.198  0.00  0.00    +0.127 C 
ATOM     10  O   LIG    1        0.553  -3.663  -1.015  0.00  0.00    -0.271 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -2.341   0.957  -0.143  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -1.458   1.757   0.599  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -1.429   3.147   0.439  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1       -2.290   3.759  -0.463  0.00  0.00    +0.041 A 
ATOM     15 CL   LIG    1       -2.240   5.465  -0.675  0.00  0.00    -0.084 Cl
ATOM     16  C   LIG    1       -3.187   2.995  -1.199  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1       -3.209   1.606  -1.036  0.00  0.00    +0.024 A 
ENDBRANCH   7  11
ENDBRANCH   2   3
BRANCH   1  20
ATOM     18  N   LIG    1        2.027  -1.701   0.299  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        1.961  -2.498  -0.333  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        1.736  -1.925   1.621  0.00  0.00    +0.241 C 
ATOM     21  O   LIG    1        1.794  -1.123   2.545  0.00  0.00    -0.270 OA
BRANCH  18  24
ATOM     22  C   LIG    1        2.582   1.945  -0.351  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        2.340   0.757   0.354  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1        2.300  -0.465  -0.320  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        2.509  -0.485  -1.706  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        2.743   0.697  -2.412  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        2.773   1.915  -1.737  0.00  0.00    +0.013 A 
BRANCH  22  31
ATOM     28  N   LIG    1        3.427   4.211  -0.082  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1        3.558   5.009   0.527  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1        4.171   4.002  -0.733  0.00  0.00    +0.145 HD
ATOM     31  C   LIG    1        2.610   3.225   0.404  0.00  0.00    +0.242 C 
ATOM     32  O   LIG    1        1.969   3.386   1.433  0.00  0.00    -0.270 OA
ENDBRANCH  22  31
ENDBRANCH  18  24
ENDBRANCH   1  20
TORSDOF 5