REMARK  Name = BDB000754
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.160  -1.919  -0.086  0.00  0.00    -0.319 N 
ATOM      2  C   LIG    1        0.206  -0.543   0.048  0.00  0.00    +0.116 A 
ATOM      3  C   LIG    1        1.566  -0.238  -0.004  0.00  0.00    +0.127 A 
ATOM      4  C   LIG    1        1.956   1.104   0.081  0.00  0.00    +0.141 A 
ATOM      5  N   LIG    1        1.048   2.095   0.221  0.00  0.00    -0.241 NA
ATOM      6  C   LIG    1       -0.263   1.750   0.279  0.00  0.00    +0.160 A 
ATOM      7  N   LIG    1        2.316  -1.386  -0.130  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1       -0.773   0.451   0.207  0.00  0.00    +0.164 A 
ATOM      9  C   LIG    1        1.456  -2.388  -0.146  0.00  0.00    +0.167 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.934  -3.882  -0.227  0.00  0.00    +0.190 A 
ATOM     11  C   LIG    1        3.280  -4.320  -0.283  0.00  0.00    +0.191 A 
ATOM     12  N   LIG    1        3.302  -5.648  -0.376  0.00  0.00    -0.033 NA
ATOM     13  O   LIG    1        1.968  -6.037  -0.349  0.00  0.00    -0.240 OA
ATOM     14  N   LIG    1        1.117  -4.938  -0.256  0.00  0.00    -0.044 NA
BRANCH  11  15
ATOM     15  N   LIG    1        4.369  -3.525  -0.253  0.00  0.00    -0.339 N 
ATOM     16  H   LIG    1        4.248  -2.520  -0.387  0.00  0.00    +0.144 HD
ATOM     17  H   LIG    1        5.255  -3.890  -0.582  0.00  0.00    +0.144 HD
ENDBRANCH  11  15
ENDBRANCH   9  10
BRANCH   1  19
ATOM     18  C   LIG    1       -1.554  -3.171   1.180  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1       -1.051  -2.714  -0.178  0.00  0.00    +0.120 C 
ENDBRANCH   1  19
BRANCH   4  20
ATOM     20  C   LIG    1        3.329   1.471   0.034  0.00  0.00    -0.041 C 
ATOM     21  C   LIG    1        4.493   1.770  -0.006  0.00  0.00    -0.061 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.920   2.122  -0.048  0.00  0.00    +0.121 C 
ATOM     23  C   LIG    1        6.325   2.551  -1.456  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1        6.234   3.222   0.964  0.00  0.00    +0.055 C 
BRANCH  22  25
ATOM     25  O   LIG    1        6.691   0.969   0.290  0.00  0.00    -0.377 OA
ATOM     26  H   LIG    1        6.325   0.621   1.121  0.00  0.00    +0.211 HD
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   4  20
BRANCH   8  27
ATOM     27  O   LIG    1       -2.083   0.085   0.286  0.00  0.00    -0.488 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -3.042   1.126   0.503  0.00  0.00    +0.234 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -4.439   0.488   0.598  0.00  0.00    +0.040 C 
ATOM     30  C   LIG    1       -4.879  -0.122  -0.744  0.00  0.00    +0.087 C 
ATOM     31  N   LIG    1       -5.158   0.905  -1.751  0.00  0.00    -0.316 NA
ATOM     32  H   LIG    1       -5.442   0.453  -2.621  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1       -6.222   1.808  -1.312  0.00  0.00    +0.081 C 
ATOM     34  C   LIG    1       -5.854   2.507  -0.005  0.00  0.00    +0.015 C 
ATOM     35  C   LIG    1       -5.490   1.498   1.082  0.00  0.00    +0.009 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 9