REMARK  Name = BDB035138
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.939   0.863  -1.595  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1        0.246   1.468  -2.233  0.00  0.00    +0.100 C 
ATOM      3  C   LIG    1        1.081   2.407  -1.325  0.00  0.00    +0.100 C 
ATOM      4  N   LIG    1        1.372   1.935   0.039  0.00  0.00    -0.292 NA
ATOM      5  C   LIG    1        0.240   1.206   0.633  0.00  0.00    +0.100 C 
ATOM      6  C   LIG    1       -0.521   0.255  -0.316  0.00  0.00    +0.100 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.675   1.272   0.241  0.00  0.00    +0.102 C 
ATOM      8  C   LIG    1        3.009   0.058  -0.622  0.00  0.00    +0.055 C 
ATOM      9  C   LIG    1        4.474  -0.232  -0.591  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1        5.405   0.712  -0.353  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1        5.028   2.027  -0.166  0.00  0.00    -0.243 NA
ATOM     12  C   LIG    1        3.785   2.296   0.098  0.00  0.00    +0.105 C 
BRANCH  10  13
ATOM     13  N   LIG    1        6.762   0.460  -0.325  0.00  0.00    -0.283 N 
ATOM     14  H   LIG    1        7.242   1.343  -0.192  0.00  0.00    +0.155 HD
BRANCH  13  15
ATOM     15  C   LIG    1        7.498  -0.670  -0.411  0.00  0.00    +0.146 A 
ATOM     16  N   LIG    1        7.079  -1.933  -0.540  0.00  0.00    -0.156 NA
ATOM     17  N   LIG    1        8.203  -2.664  -0.576  0.00  0.00    -0.273 N 
ATOM     18  C   LIG    1        8.109  -4.097  -0.712  0.00  0.00    +0.172 C 
ATOM     19  C   LIG    1        9.340  -1.924  -0.472  0.00  0.00    +0.110 A 
ATOM     20  C   LIG    1        8.916  -0.621  -0.363  0.00  0.00    +0.065 A 
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  21
ATOM     21  C   LIG    1       -2.017   1.852  -1.441  0.00  0.00    +0.121 C 
BRANCH  21  31
ATOM     22  C   LIG    1       -7.351  -0.508   1.489  0.00  0.00    +0.081 C 
ATOM     23  C   LIG    1       -6.998   0.832   2.124  0.00  0.00    +0.221 C 
ATOM     24  O   LIG    1       -7.612   1.286   3.087  0.00  0.00    -0.275 OA
ATOM     25  N   LIG    1       -5.883   1.471   1.645  0.00  0.00    -0.284 N 
ATOM     26  H   LIG    1       -5.583   2.286   2.164  0.00  0.00    +0.155 HD
ATOM     27  C   LIG    1       -5.199   1.073   0.492  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1       -5.730   0.086  -0.336  0.00  0.00    +0.063 A 
ATOM     29  N   LIG    1       -5.119  -0.339  -1.465  0.00  0.00    -0.258 NA
ATOM     30  C   LIG    1       -3.933   0.240  -1.770  0.00  0.00    +0.116 A 
ATOM     31  C   LIG    1       -3.329   1.242  -1.012  0.00  0.00    -0.014 A 
ATOM     32  C   LIG    1       -3.992   1.669   0.143  0.00  0.00    +0.031 A 
ATOM     33  C   LIG    1       -7.095  -0.460  -0.019  0.00  0.00    +0.070 C 
BRANCH  22  35
ATOM     34  C   LIG    1       -7.030  -3.022   1.843  0.00  0.00    +0.004 C 
ATOM     35  C   LIG    1       -6.577  -1.619   2.223  0.00  0.00    +0.010 C 
ENDBRANCH  22  35
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 6