REMARK  Name = BDB012575
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.190   0.714  -0.583  0.00  0.00    +0.065 A 
ATOM      2  C   LIG    1        1.822   0.628  -0.306  0.00  0.00    +0.081 A 
ATOM      3  C   LIG    1        0.563   1.230  -0.641  0.00  0.00    +0.255 C 
ATOM      4  N   LIG    1       -0.409   0.528   0.126  0.00  0.00    -0.254 N 
ATOM      5  C   LIG    1        0.202  -0.560   0.960  0.00  0.00    +0.159 C 
ATOM      6  O   LIG    1        0.451   2.163  -1.418  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        1.623  -0.371   0.598  0.00  0.00    +0.058 A 
ATOM      8  N   LIG    1        2.813  -0.933   0.913  0.00  0.00    -0.349 N 
ATOM      9  C   LIG    1        3.050  -2.029   1.820  0.00  0.00    +0.148 C 
ATOM     10  C   LIG    1        3.788  -0.267   0.194  0.00  0.00    +0.109 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.802   0.851   0.183  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1       -2.641   0.233   1.130  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1       -4.003   0.571   1.137  0.00  0.00    +0.091 A 
ATOM     14  C   LIG    1       -4.559   1.497   0.265  0.00  0.00    +0.116 A 
ATOM     15  N   LIG    1       -5.900   1.621   0.522  0.00  0.00    -0.129 NA
ATOM     16  N   LIG    1       -6.207   0.807   1.522  0.00  0.00    -0.065 NA
ATOM     17  C   LIG    1       -3.746   2.133  -0.685  0.00  0.00    -0.019 A 
ATOM     18  C   LIG    1       -4.264   3.141  -1.669  0.00  0.00    +0.046 C 
ATOM     19  N   LIG    1       -5.079   0.171   1.883  0.00  0.00    -0.247 N 
ATOM     20  C   LIG    1       -5.125  -0.794   2.950  0.00  0.00    +0.175 C 
ATOM     21  C   LIG    1       -2.373   1.784  -0.701  0.00  0.00    +0.029 A 
ENDBRANCH   4  11
BRANCH   1  26
ATOM     22  C   LIG    1        6.731   2.975  -3.049  0.00  0.00    +0.129 C 
ATOM     23  N   LIG    1        5.374   2.709  -2.639  0.00  0.00    -0.302 N 
ATOM     24  H   LIG    1        4.771   3.510  -2.528  0.00  0.00    +0.150 HD
ATOM     25  C   LIG    1        5.117   1.654  -1.781  0.00  0.00    +0.304 C 
ATOM     26  N   LIG    1        3.780   1.611  -1.450  0.00  0.00    -0.267 N 
ATOM     27  H   LIG    1        3.149   2.216  -1.958  0.00  0.00    +0.156 HD
ATOM     28  O   LIG    1        5.991   0.885  -1.402  0.00  0.00    -0.253 OA
ENDBRANCH   1  26
BRANCH   5  29
ATOM     29  C   LIG    1       -0.293  -1.960   0.636  0.00  0.00    -0.021 A 
ATOM     30  C   LIG    1       -0.514  -2.878   1.679  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -0.957  -4.175   1.407  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1       -1.178  -4.569   0.089  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1       -1.724  -6.166  -0.242  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1       -0.956  -3.680  -0.958  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1       -0.512  -2.383  -0.687  0.00  0.00    +0.007 A 
ENDBRANCH   5  29
TORSDOF 3