REMARK  Name = BDB015929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.892   2.164  -0.074  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.170   1.333  -0.065  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.404   1.866  -0.177  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1       -1.593   3.242  -0.306  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1       -0.438   4.003  -0.304  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.808   3.499  -0.197  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.629  -0.429   0.457  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.374   0.189   0.368  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.230   1.553   0.046  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.409   2.289  -0.164  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.669   1.688  -0.073  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.778   0.331   0.231  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        4.818  -5.241   0.347  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        4.225  -3.970   0.686  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        3.258  -3.918   1.621  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        2.970  -2.616   1.697  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        3.705  -1.841   0.772  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.516  -2.755   0.136  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.903   3.876  -0.403  0.00  0.00    +0.097 A 
ATOM     20  N   LIG    1       -3.969   3.398   0.266  0.00  0.00    -0.171 NA
ATOM     21  N   LIG    1       -4.976   4.225  -0.066  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.295   3.986   0.469  0.00  0.00    +0.172 C 
ATOM     23  C   LIG    1       -4.601   5.230  -0.903  0.00  0.00    +0.108 A 
ATOM     24  C   LIG    1       -3.262   5.036  -1.144  0.00  0.00    +0.049 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.503   0.989  -0.277  0.00  0.00    -0.327 N 
ATOM     26  H   LIG    1       -3.299   1.433   0.196  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.288  -0.393   0.148  0.00  0.00    +0.122 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.732  -1.258  -0.997  0.00  0.00    +0.130 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -1.406  -2.619  -0.594  0.00  0.00    -0.263 N 
ATOM     30  C   LIG    1       -2.359  -3.555  -0.270  0.00  0.00    +0.403 C 
ATOM     31  O   LIG    1       -3.561  -3.458  -0.451  0.00  0.00    -0.226 OA
ATOM     32  O   LIG    1       -1.763  -4.626   0.341  0.00  0.00    -0.449 OA
ATOM     33  C   LIG    1       -0.343  -4.427   0.303  0.00  0.00    +0.253 C 
ATOM     34  C   LIG    1       -0.177  -2.949   0.058  0.00  0.00    +0.152 C 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 7