REMARK  Name = BDB051169
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.027  -1.247  -1.213  0.00  0.00    +0.080 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1        0.482  -2.527  -0.724  0.00  0.00    -0.325 NA
ATOM      3  H   LIG    1       -0.476  -2.629  -1.060  0.00  0.00    +0.119 HD
ATOM      4  H   LIG    1        0.981  -3.303  -1.163  0.00  0.00    +0.119 HD
ENDBRANCH   1   2
BRANCH   1   5
ATOM      5  C   LIG    1        2.552  -1.183  -0.876  0.00  0.00    +0.132 C 
BRANCH   5   6
ATOM      6  O   LIG    1        2.739  -1.571   0.491  0.00  0.00    -0.390 OA
ATOM      7  H   LIG    1        1.969  -2.149   0.688  0.00  0.00    +0.210 HD
ENDBRANCH   5   6
BRANCH   5   8
ATOM      8  C   LIG    1        3.408  -2.075  -1.790  0.00  0.00    +0.045 C 
BRANCH   8   9
ATOM      9  C   LIG    1        4.900  -2.227  -1.429  0.00  0.00    +0.074 C 
ATOM     10  C   LIG    1        5.166  -3.313  -0.384  0.00  0.00    +0.017 C 
BRANCH   9  13
ATOM     11  N   LIG    1        5.324  -0.443   0.200  0.00  0.00    -0.315 N 
ATOM     12  H   LIG    1        4.552  -0.872   0.712  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        5.577  -0.907  -1.069  0.00  0.00    +0.216 C 
ATOM     14  O   LIG    1        6.270  -0.302  -1.883  0.00  0.00    -0.276 OA
BRANCH  11  15
ATOM     15  C   LIG    1        5.839   0.823   0.676  0.00  0.00    +0.104 C 
BRANCH  15  16
ATOM     16  C   LIG    1        7.276   0.690   1.177  0.00  0.00    +0.018 C 
BRANCH  16  18
ATOM     17  C   LIG    1        7.206   2.628   2.833  0.00  0.00    +0.004 C 
ATOM     18  C   LIG    1        7.888   2.020   1.618  0.00  0.00    -0.002 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   5
BRANCH   1  19
ATOM     19  C   LIG    1        0.305  -0.050  -0.549  0.00  0.00    +0.024 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.207   0.155  -0.814  0.00  0.00    -0.008 C 
ATOM     21  C   LIG    1       -1.568  -0.012  -2.292  0.00  0.00    +0.008 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -2.096  -0.712   0.105  0.00  0.00    +0.038 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.513  -0.197   0.219  0.00  0.00    -0.047 A 
ATOM     24  C   LIG    1       -3.805   0.909   1.021  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.114   1.390   1.120  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -6.178   0.785   0.423  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -5.867  -0.326  -0.378  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.557  -0.810  -0.478  0.00  0.00    +0.004 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -7.605   1.343   0.556  0.00  0.00    -0.013 C 
ATOM     30  C   LIG    1       -7.636   2.812   0.081  0.00  0.00    +0.015 C 
ATOM     31  C   LIG    1       -8.657   0.573  -0.274  0.00  0.00    +0.015 C 
ATOM     32  C   LIG    1       -8.052   1.277   2.032  0.00  0.00    +0.015 C 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 14