REMARK  Name = BDB058248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.616  -0.031  -0.603  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        5.108  -1.323  -0.800  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        3.776  -1.575  -0.507  0.00  0.00    -0.038 A 
ATOM      4  C   LIG    1        3.048  -2.881  -0.601  0.00  0.00    +0.040 C 
ATOM      5  C   LIG    1        1.580  -2.430  -0.543  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1        1.569  -1.119   0.259  0.00  0.00    +0.216 C 
ATOM      7  C   LIG    1        0.411  -0.226  -0.097  0.00  0.00    +0.273 C 
ATOM      8  O   LIG    1        0.161   0.265  -1.187  0.00  0.00    -0.270 OA
ATOM      9  N   LIG    1       -0.303  -0.069   1.044  0.00  0.00    -0.195 N 
ATOM     10  C   LIG    1        0.251  -0.766   2.058  0.00  0.00    +0.411 C 
ATOM     11  O   LIG    1       -0.186  -0.850   3.196  0.00  0.00    -0.226 OA
ATOM     12  O   LIG    1        1.400  -1.377   1.653  0.00  0.00    -0.429 OA
ATOM     13  C   LIG    1        2.941  -0.570  -0.009  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        3.432   0.707   0.207  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        4.773   0.972  -0.097  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  20
ATOM     16  C   LIG    1        9.914   2.268  -1.198  0.00  0.00    +0.129 C 
ATOM     17  N   LIG    1        9.006   1.147  -1.185  0.00  0.00    -0.302 N 
ATOM     18  H   LIG    1        9.368   0.290  -0.796  0.00  0.00    +0.150 HD
ATOM     19  C   LIG    1        7.663   1.370  -0.931  0.00  0.00    +0.304 C 
ATOM     20  N   LIG    1        6.976   0.176  -0.910  0.00  0.00    -0.269 N 
ATOM     21  H   LIG    1        7.474  -0.608  -1.301  0.00  0.00    +0.156 HD
ATOM     22  O   LIG    1        7.202   2.491  -0.769  0.00  0.00    -0.253 OA
ENDBRANCH   1  20
BRANCH   9  23
ATOM     23  C   LIG    1       -1.585   0.594   1.129  0.00  0.00    +0.215 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.695  -0.432   0.862  0.00  0.00    +0.234 C 
ATOM     25  N   LIG    1       -4.011  -0.021   1.064  0.00  0.00    -0.290 N 
ATOM     26  C   LIG    1       -4.413   1.305   1.571  0.00  0.00    +0.111 C 
ATOM     27  C   LIG    1       -4.472   1.291   3.100  0.00  0.00    +0.031 C 
ATOM     28  C   LIG    1       -5.761   1.779   1.001  0.00  0.00    +0.251 C 
ATOM     29  O   LIG    1       -5.715   1.850  -0.422  0.00  0.00    -0.490 OA
ATOM     30  C   LIG    1       -5.971   0.681  -1.090  0.00  0.00    +0.125 A 
ATOM     31  C   LIG    1       -5.703  -0.621  -0.635  0.00  0.00    +0.012 A 
ATOM     32  C   LIG    1       -6.044  -1.703  -1.472  0.00  0.00    +0.009 A 
ATOM     33  C   LIG    1       -6.602  -1.496  -2.735  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -6.831  -0.203  -3.186  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1       -6.511   0.879  -2.368  0.00  0.00    +0.046 A 
ATOM     36  C   LIG    1       -5.083  -0.943   0.705  0.00  0.00    +0.147 C 
ATOM     37  O   LIG    1       -2.419  -1.569   0.467  0.00  0.00    -0.274 OA
ENDBRANCH  23  24
ENDBRANCH   9  23
TORSDOF 3