REMARK  Name = BDB012462
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.008   3.796   3.030  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.170   3.035   2.079  0.00  0.00    +0.250 C 
ATOM      3  C   LIG    1        0.786   3.070   0.951  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        1.821   2.127   0.934  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        2.766   2.118  -0.104  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1        2.649   3.076  -1.121  0.00  0.00    +0.005 A 
ATOM      7  C   LIG    1        1.629   4.037  -1.083  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.875   1.082  -0.121  0.00  0.00    +0.182 C 
ATOM      9  N   LIG    1        3.423  -0.243  -0.546  0.00  0.00    -0.225 N 
ATOM     10  N   LIG    1        2.434  -0.821   0.217  0.00  0.00    -0.168 NA
ATOM     11  C   LIG    1        1.929  -1.952  -0.168  0.00  0.00    +0.095 A 
ATOM     12  C   LIG    1        2.407  -2.710  -1.339  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        3.387  -2.150  -2.051  0.00  0.00    +0.074 A 
ATOM     14  C   LIG    1        0.734  -2.458   0.564  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1       -0.191  -1.475   0.955  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1       -1.391  -1.792   1.610  0.00  0.00    -0.027 A 
ATOM     17  C   LIG    1       -1.628  -3.138   1.916  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1       -0.704  -4.129   1.551  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -2.377  -0.713   2.016  0.00  0.00    +0.160 C 
ATOM     20  N   LIG    1       -2.470   0.356   1.027  0.00  0.00    -0.307 N 
ATOM     21  C   LIG    1       -1.756   1.539   1.032  0.00  0.00    +0.204 A 
ATOM     22  N   LIG    1       -1.829   2.126  -0.141  0.00  0.00    -0.214 NA
ATOM     23  C   LIG    1       -2.675   1.361  -0.899  0.00  0.00    +0.091 A 
ATOM     24  C   LIG    1       -3.112   1.556  -2.217  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1       -3.981   0.617  -2.784  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -4.401  -0.498  -2.056  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.970  -0.712  -0.742  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -3.111   0.247  -0.190  0.00  0.00    +0.070 A 
ATOM     29  C   LIG    1        0.472  -3.791   0.874  0.00  0.00    +0.126 A 
ATOM     30  C   LIG    1        3.950  -0.830  -1.686  0.00  0.00    +0.268 A 
ATOM     31  O   LIG    1        4.829  -0.345  -2.394  0.00  0.00    -0.266 OA
ATOM     32  C   LIG    1        0.700   4.044  -0.040  0.00  0.00    +0.013 A 
ATOM     33  N   LIG    1       -1.081   2.005   2.137  0.00  0.00    -0.252 N 
ATOM     34  H   LIG    1       -1.490   1.850   3.047  0.00  0.00    +0.158 HD
ENDROOT
BRANCH  29  35
ATOM     35  O   LIG    1        1.366  -4.771   0.548  0.00  0.00    -0.506 OA
ATOM     36  H   LIG    1        1.081  -5.611   0.945  0.00  0.00    +0.292 HD
ENDBRANCH  29  35
TORSDOF 1