REMARK  Name = BDB012458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.188  -4.393   0.883  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -0.997  -3.498   1.056  0.00  0.00    -0.041 A 
ATOM      3  C   LIG    1       -0.974  -2.170   0.621  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.074  -1.469  -0.087  0.00  0.00    +0.092 A 
ATOM      5  N   LIG    1       -2.473  -0.337   0.398  0.00  0.00    -0.168 NA
ATOM      6  N   LIG    1       -3.333   0.430  -0.358  0.00  0.00    -0.225 N 
ATOM      7  C   LIG    1       -3.577   1.786   0.133  0.00  0.00    +0.182 C 
ATOM      8  C   LIG    1       -2.330   2.651   0.102  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1       -1.322   2.474   1.063  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -0.159   3.255   1.032  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        0.856   3.036   2.086  0.00  0.00    +0.250 C 
ATOM     12  N   LIG    1        1.616   1.889   2.044  0.00  0.00    -0.252 N 
ATOM     13  H   LIG    1        2.054   1.637   2.917  0.00  0.00    +0.158 HD
ATOM     14  C   LIG    1        2.127   1.367   0.878  0.00  0.00    +0.204 A 
ATOM     15  N   LIG    1        2.663   0.095   0.793  0.00  0.00    -0.307 N 
ATOM     16  C   LIG    1        2.505  -0.977   1.770  0.00  0.00    +0.160 C 
ATOM     17  C   LIG    1        1.304  -1.860   1.487  0.00  0.00    -0.027 A 
ATOM     18  C   LIG    1        1.287  -3.197   1.900  0.00  0.00    +0.006 A 
ATOM     19  C   LIG    1        3.174  -0.070  -0.479  0.00  0.00    +0.070 A 
ATOM     20  C   LIG    1        2.845   1.115  -1.129  0.00  0.00    +0.091 A 
ATOM     21  C   LIG    1        3.191   1.284  -2.477  0.00  0.00    +0.030 A 
ATOM     22  C   LIG    1        3.862   0.246  -3.135  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        4.175  -0.938  -2.465  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        3.833  -1.126  -1.121  0.00  0.00    +0.028 A 
ATOM     25  N   LIG    1        2.184   1.970  -0.287  0.00  0.00    -0.214 NA
ATOM     26  O   LIG    1        0.867   3.770   3.071  0.00  0.00    -0.270 OA
ATOM     27  C   LIG    1       -0.002   4.251   0.072  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1       -0.994   4.427  -0.895  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -2.145   3.628  -0.887  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.819   0.039  -1.597  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1       -4.556   0.710  -2.316  0.00  0.00    -0.266 OA
ATOM     32  C   LIG    1       -3.397  -1.303  -2.063  0.00  0.00    +0.074 A 
ATOM     33  C   LIG    1       -2.544  -2.048  -1.357  0.00  0.00    +0.035 A 
ATOM     34  C   LIG    1        0.154  -1.366   0.860  0.00  0.00    +0.015 A 
ATOM     35  C   LIG    1        0.158  -4.003   1.682  0.00  0.00    +0.004 A 
ENDROOT
TORSDOF 0