REMARK  Name = BDB055703
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.268  -2.497  -0.219  0.00  0.00    -0.295 NA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.447  -3.906   0.209  0.00  0.00    +0.051 C 
ATOM      3  C   LIG    1       -1.222  -4.798  -0.774  0.00  0.00    +0.024 C 
ATOM      4  C   LIG    1       -1.056  -4.035   1.609  0.00  0.00    +0.024 C 
ENDBRANCH   1   2
BRANCH   1   5
ATOM      5  C   LIG    1        0.513  -2.425  -1.473  0.00  0.00    +0.120 C 
BRANCH   5  10
ATOM      6  C   LIG    1        2.828   0.555  -0.846  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1        2.565   1.358  -1.973  0.00  0.00    +0.162 A 
ATOM      8  C   LIG    1        1.632   0.928  -2.922  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        0.966  -0.290  -2.762  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        1.224  -1.099  -1.650  0.00  0.00    -0.030 A 
ATOM     11  C   LIG    1        2.170  -0.672  -0.704  0.00  0.00    +0.054 A 
BRANCH   7  12
ATOM     12  O   LIG    1        3.252   2.545  -2.044  0.00  0.00    -0.491 OA
ATOM     13  C   LIG    1        3.102   3.325  -3.220  0.00  0.00    +0.277 C 
ENDBRANCH   7  12
BRANCH   6  14
ATOM     14  O   LIG    1        3.751   1.041   0.047  0.00  0.00    -0.488 OA
BRANCH  14  15
ATOM     15  C   LIG    1        3.783   0.448   1.341  0.00  0.00    +0.231 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.688   1.258   2.272  0.00  0.00    +0.069 C 
BRANCH  16  17
ATOM     17  C   LIG    1        6.173   1.105   1.950  0.00  0.00    +0.163 C 
BRANCH  17  19
ATOM     18  C   LIG    1        7.866   1.688   0.417  0.00  0.00    +0.193 C 
ATOM     19  O   LIG    1        6.506   1.855   0.788  0.00  0.00    -0.383 OA
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   6  14
ENDBRANCH   5  10
ENDBRANCH   1   5
BRANCH   1  20
ATOM     20  C   LIG    1       -1.507  -1.697  -0.299  0.00  0.00    +0.090 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.769  -0.848   0.958  0.00  0.00    +0.021 C 
ATOM     22  C   LIG    1       -3.051   0.029   0.963  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1       -2.575   1.391   1.491  0.00  0.00    +0.085 C 
ATOM     24  N   LIG    1       -1.307   1.103   2.159  0.00  0.00    -0.315 NA
ATOM     25  H   LIG    1       -0.744   1.950   2.235  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -0.649   0.140   1.273  0.00  0.00    +0.086 C 
BRANCH  22  27
ATOM     27  C   LIG    1       -3.807   0.157  -0.368  0.00  0.00    +0.040 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.078   0.968  -0.260  0.00  0.00    -0.047 A 
ATOM     29  C   LIG    1       -5.158   2.247  -0.829  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -6.330   2.997  -0.722  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.433   2.477  -0.047  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.365   1.206   0.521  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.194   0.455   0.415  0.00  0.00    +0.003 A 
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 13