REMARK  Name = BDB014494
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.563  -0.187   0.333  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.332   0.831   0.616  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1        0.039   1.702   0.982  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.230  -1.369   0.291  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.986   0.315   0.050  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.977  -0.692   0.240  0.00  0.00    -0.479 OA
BRANCH   6   8
ATOM      7  C   LIG    1        4.257  -0.556  -1.808  0.00  0.00    +0.162 A 
ATOM      8  C   LIG    1        3.377  -1.231  -0.955  0.00  0.00    +0.163 A 
ATOM      9  C   LIG    1        2.945  -2.519  -1.267  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        3.345  -3.113  -2.465  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        4.181  -2.421  -3.344  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        4.638  -1.141  -3.017  0.00  0.00    +0.049 A 
BRANCH   7  13
ATOM     13  O   LIG    1        4.672   0.709  -1.477  0.00  0.00    -0.487 OA
BRANCH  13  14
ATOM     14  C   LIG    1        6.079   0.766  -1.187  0.00  0.00    +0.244 C 
BRANCH  14  15
ATOM     15  C   LIG    1        6.362   0.370   0.277  0.00  0.00    +0.124 C 
BRANCH  15  17
ATOM     16  C   LIG    1        8.712  -0.248   0.026  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1        7.738   0.545   0.774  0.00  0.00    -0.305 NA
ATOM     18  C   LIG    1        8.140   1.947   0.841  0.00  0.00    +0.104 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   7  13
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1       -1.689   0.520   1.043  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.533   1.799   1.162  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.842   2.722   2.027  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -2.327   3.566   1.979  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -3.934   1.508   1.742  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.773   0.654   0.888  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -5.869   0.065   1.687  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -6.901  -0.682   0.870  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -7.032  -0.458  -0.511  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -8.026  -1.130  -1.238  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.896  -2.007  -0.593  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -8.777  -2.225   0.780  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -6.067   0.459  -1.215  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -7.787  -1.564   1.509  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -5.339   1.401  -0.247  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 12