REMARK  Name = BDB014654
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.840  -0.111   0.684  0.00  0.00    +0.214 C 
ATOM      2  N   LIG    1       -0.041   0.559  -0.132  0.00  0.00    -0.313 N 
ATOM      3  H   LIG    1       -0.340   1.495   0.117  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.097  -1.305   0.555  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.452   0.773   1.753  0.00  0.00    +0.103 C 
BRANCH   5   6
ATOM      6  C   LIG    1        2.453   0.028   2.630  0.00  0.00    +0.083 C 
BRANCH   6  13
ATOM      7  C   LIG    1        7.814  -0.645   0.025  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        7.106   0.126   0.957  0.00  0.00    +0.075 A 
ATOM      9  C   LIG    1        5.760  -0.174   1.211  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1        5.163  -1.230   0.534  0.00  0.00    +0.066 A 
ATOM     11  N   LIG    1        3.877  -1.250   1.006  0.00  0.00    -0.342 N 
ATOM     12  H   LIG    1        3.128  -1.863   0.706  0.00  0.00    +0.167 HD
ATOM     13  C   LIG    1        3.740  -0.234   1.923  0.00  0.00    +0.109 A 
ATOM     14  C   LIG    1        5.835  -2.016  -0.401  0.00  0.00    +0.031 A 
ATOM     15  N   LIG    1        4.867   0.432   2.063  0.00  0.00    -0.232 NA
ATOM     16  C   LIG    1        7.181  -1.700  -0.642  0.00  0.00    +0.048 A 
BRANCH   7  18
ATOM     17  C   LIG    1        9.898  -1.011  -1.069  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        9.120  -0.263  -0.144  0.00  0.00    -0.495 OA
ENDBRANCH   7  18
ENDBRANCH   6  13
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1       -0.797  -0.116  -1.168  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.979  -0.948  -0.641  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.654  -1.584  -1.733  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -2.025  -2.210  -2.133  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.985  -0.136   0.218  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.333   1.210  -0.290  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -4.220   1.161  -1.472  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.670   0.835  -1.179  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -6.220   1.063   0.096  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -7.575   0.793   0.329  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.386   0.320  -0.702  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.849   0.107  -1.970  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.339   1.528   1.228  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -6.499   0.366  -2.208  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -3.975   2.042   0.745  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 9