REMARK  Name = BDB053949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.913   0.113   0.475  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -0.305  -0.588   0.532  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -1.529   0.118   0.517  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -1.476   1.513   0.463  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -2.770   1.975   0.476  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -3.030   2.951   0.453  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -3.662   0.935   0.535  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -5.065   0.940   0.573  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -6.035   2.090   0.538  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -7.319   1.413   1.038  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -7.236  -0.062   0.616  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -5.758  -0.278   0.617  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -5.049  -1.449   0.610  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -5.493  -2.841   0.618  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -6.647  -3.221   0.615  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -4.365  -3.598   0.611  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -4.365  -4.605   0.580  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -3.231  -2.845   0.556  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1       -2.095  -3.264   0.477  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -3.657  -1.447   0.578  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1       -0.277   2.232   0.413  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -2.913  -0.256   0.546  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        0.919   1.509   0.418  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  24
ATOM     24  C   LIG    1        2.183  -0.672   0.489  0.00  0.00    +0.177 C 
ATOM     25  O   LIG    1        2.187  -1.777   1.028  0.00  0.00    -0.291 OA
BRANCH  24  26
ATOM     26  C   LIG    1        3.413  -0.029  -0.169  0.00  0.00    +0.164 C 
BRANCH  26  28
ATOM     27  C   LIG    1        5.693  -0.399  -1.097  0.00  0.00    +0.167 C 
ATOM     28  N   LIG    1        4.488  -1.009  -0.460  0.00  0.00    -0.283 NA
ATOM     29  C   LIG    1        4.064  -2.010  -1.457  0.00  0.00    +0.086 C 
ATOM     30  C   LIG    1        4.297  -1.371  -2.818  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1        5.384  -0.329  -2.591  0.00  0.00    +0.031 C 
BRANCH  27  32
ATOM     32  C   LIG    1        6.111   0.953  -0.516  0.00  0.00    +0.324 C 
ATOM     33  O   LIG    1        5.540   2.017  -0.734  0.00  0.00    -0.249 OA
BRANCH  32  35
ATOM     34  C   LIG    1        7.653   2.024   0.888  0.00  0.00    +0.280 C 
ATOM     35  O   LIG    1        7.204   0.809   0.287  0.00  0.00    -0.467 OA
ENDBRANCH  32  35
ENDBRANCH  27  32
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 5