REMARK  Name = BDB023911
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.237   3.451   0.360  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.783   3.262   0.011  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.315   1.957  -0.096  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.907   1.819  -0.521  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -2.413   0.440  -0.265  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1       -1.115  -0.124  -0.318  0.00  0.00    +0.100 A 
ATOM      7  N   LIG    1       -1.130  -1.419   0.033  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -2.421  -1.695   0.276  0.00  0.00    -0.260 N 
ATOM      9  C   LIG    1       -3.226  -0.604   0.129  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -4.682  -0.491   0.383  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.205   0.793  -0.296  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -4.056   4.242  -0.160  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.120   0.582  -0.691  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        1.446   0.190  -0.311  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        2.325   1.122  -0.866  0.00  0.00    +0.048 A 
ATOM     16  C   LIG    1        3.717   1.056  -0.696  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        4.249   0.005   0.070  0.00  0.00    -0.013 A 
ATOM     18  C   LIG    1        3.387  -0.937   0.639  0.00  0.00    +0.009 A 
ATOM     19  N   LIG    1        1.566   2.039  -1.554  0.00  0.00    -0.360 N 
ATOM     20  H   LIG    1        1.942   2.830  -2.058  0.00  0.00    +0.165 HD
ATOM     21  C   LIG    1        1.998  -0.857   0.458  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        0.237   1.721  -1.462  0.00  0.00    +0.093 A 
BRANCH  17  23
ATOM     23  C   LIG    1        5.683  -0.105   0.283  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        6.657   0.288  -0.612  0.00  0.00    +0.116 A 
ATOM     25  N   LIG    1        7.856  -0.007  -0.031  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        9.168   0.213  -0.586  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        7.739  -0.566   1.187  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        6.417  -0.628   1.374  0.00  0.00    +0.142 A 
ENDBRANCH  17  23
ENDBRANCH   6  13
BRANCH   8  29
ATOM     29  C   LIG    1       -2.880  -2.996   0.773  0.00  0.00    +0.158 C 
ATOM     30  C   LIG    1       -1.877  -4.144   0.611  0.00  0.00    +0.189 C 
ATOM     31  O   LIG    1       -2.910  -4.976   0.005  0.00  0.00    -0.375 OA
ATOM     32  C   LIG    1       -3.692  -3.779  -0.260  0.00  0.00    +0.189 C 
ENDBRANCH   8  29
TORSDOF 3