REMARK  Name = BDB012025
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.069   1.953  -1.486  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -1.289   1.533  -1.464  0.00  0.00    +0.131 A 
ATOM      3  C   LIG    1       -2.141   1.947  -2.480  0.00  0.00    +0.160 A 
ATOM      4  N   LIG    1       -3.350   1.385  -2.195  0.00  0.00    -0.323 N 
ATOM      5  H   LIG    1       -4.180   1.498  -2.752  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -3.217   0.656  -1.045  0.00  0.00    +0.144 A 
ATOM      7  N   LIG    1       -1.872   2.730  -3.537  0.00  0.00    -0.234 NA
ATOM      8  C   LIG    1       -0.580   3.139  -3.531  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -1.984   0.728  -0.581  0.00  0.00    -0.224 NA
ATOM     10  C   LIG    1        0.387   2.802  -2.580  0.00  0.00    +0.082 A 
ATOM     11 CL   LIG    1        1.960   3.511  -2.761  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -4.347  -0.156  -0.361  0.00  0.00    +0.058 A 
ATOM     13  C   LIG    1       -5.707  -0.339  -0.712  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -6.463   0.209  -1.863  0.00  0.00    +0.068 C 
ATOM     15  N   LIG    1       -6.333  -1.131   0.170  0.00  0.00    -0.176 NA
ATOM     16  N   LIG    1       -5.379  -1.446   1.065  0.00  0.00    -0.274 N 
ATOM     17  C   LIG    1       -5.703  -2.307   2.177  0.00  0.00    +0.172 C 
ATOM     18  C   LIG    1       -4.171  -0.884   0.792  0.00  0.00    +0.119 A 
ENDBRANCH   6  12
BRANCH   1  22
ATOM     19  N   LIG    1        2.699   0.076   1.366  0.00  0.00    -0.292 NA
ATOM     20  C   LIG    1        3.140   0.362  -0.023  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1        1.961   0.542  -1.012  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1        1.055   1.609  -0.523  0.00  0.00    -0.325 N 
ATOM     23  C   LIG    1        0.546   1.275   0.825  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        1.741   1.123   1.797  0.00  0.00    +0.104 C 
BRANCH  19  25
ATOM     25  C   LIG    1        3.845   0.034   2.301  0.00  0.00    +0.164 C 
BRANCH  25  30
ATOM     26  C   LIG    1        7.443  -2.977   0.697  0.00  0.00    +0.112 C 
ATOM     27  C   LIG    1        6.280  -2.349   1.346  0.00  0.00    +0.224 A 
ATOM     28  O   LIG    1        5.554  -3.135   2.191  0.00  0.00    -0.338 OA
ATOM     29  N   LIG    1        4.518  -2.339   2.682  0.00  0.00    -0.060 NA
ATOM     30  C   LIG    1        4.720  -1.161   2.072  0.00  0.00    +0.186 A 
ATOM     31  N   LIG    1        5.820  -1.123   1.243  0.00  0.00    -0.195 NA
ENDBRANCH  25  30
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 4