REMARK  Name = BDB035115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.178   1.675  -0.859  0.00  0.00    -0.299 NA
ATOM      2  C   LIG    1        0.876   2.503  -0.222  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        2.105   1.725   0.309  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.687   0.860  -0.745  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        1.690   0.020  -1.441  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.475   0.857  -1.908  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.921   0.279  -0.420  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        4.225  -1.078  -0.555  0.00  0.00    +0.136 A 
ATOM      9  N   LIG    1        5.415  -1.665  -0.256  0.00  0.00    -0.238 NA
ATOM     10  C   LIG    1        6.401  -0.867   0.195  0.00  0.00    +0.127 A 
ATOM     11  C   LIG    1        6.228   0.497   0.349  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        4.987   1.062   0.034  0.00  0.00    +0.028 A 
BRANCH  10  13
ATOM     13  N   LIG    1        7.583  -1.542   0.477  0.00  0.00    -0.236 N 
ATOM     14  H   LIG    1        7.548  -2.534   0.302  0.00  0.00    +0.160 HD
ATOM     15  C   LIG    1        8.756  -1.050   0.950  0.00  0.00    +0.405 C 
ATOM     16  O   LIG    1        9.022   0.108   1.236  0.00  0.00    -0.226 OA
BRANCH  15  17
ATOM     17  O   LIG    1        9.636  -2.082   1.068  0.00  0.00    -0.453 OA
ATOM     18  C   LIG    1       10.922  -1.702   1.559  0.00  0.00    +0.282 C 
ENDBRANCH  15  17
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -0.911   0.881   0.141  0.00  0.00    +0.093 C 
BRANCH  19  29
ATOM     20  C   LIG    1       -7.144  -0.648  -0.117  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -6.593  -0.937   1.240  0.00  0.00    +0.240 C 
ATOM     22  O   LIG    1       -7.312  -1.201   2.197  0.00  0.00    -0.271 OA
ATOM     23  N   LIG    1       -5.236  -0.892   1.384  0.00  0.00    -0.306 N 
ATOM     24  H   LIG    1       -4.940  -1.212   2.297  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1       -4.321  -1.011   0.257  0.00  0.00    +0.102 C 
ATOM     26  C   LIG    1       -4.825  -0.281  -1.013  0.00  0.00    +0.148 C 
ATOM     27  N   LIG    1       -4.444   1.138  -1.049  0.00  0.00    -0.286 NA
ATOM     28  C   LIG    1       -3.205   1.374  -0.774  0.00  0.00    +0.083 C 
ATOM     29  C   LIG    1       -2.224   0.287  -0.396  0.00  0.00    +0.046 C 
ATOM     30  C   LIG    1       -2.909  -0.567   0.676  0.00  0.00    +0.035 C 
ATOM     31  C   LIG    1       -6.317  -0.342  -1.133  0.00  0.00    +0.010 C 
BRANCH  20  33
ATOM     32  C   LIG    1       -9.329   0.540   0.260  0.00  0.00    +0.009 C 
ATOM     33  C   LIG    1       -8.640  -0.708  -0.275  0.00  0.00    +0.037 C 
ENDBRANCH  20  33
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 6