REMARK  Name = BDB050461
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.939   0.184   1.263  0.00  0.00    +0.052 A 
ATOM      2  C   LIG    1        0.145  -0.624   0.907  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1        1.262  -0.733   1.747  0.00  0.00    -0.008 A 
ATOM      4  C   LIG    1        1.221  -0.035   2.948  0.00  0.00    +0.116 A 
ATOM      5  N   LIG    1        0.199   0.758   3.329  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -0.857   0.854   2.479  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -3.426   1.753   1.449  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1       -3.185   0.994   0.518  0.00  0.00    +0.222 C 
ATOM      9  N   LIG    1       -2.028   0.246   0.368  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1       -1.945  -0.307  -0.476  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -4.147   0.800  -0.644  0.00  0.00    +0.090 C 
ATOM     12  C   LIG    1       -5.417   1.629  -0.505  0.00  0.00    +0.093 C 
ATOM     13  N   LIG    1       -6.394   0.859  -1.281  0.00  0.00    -0.315 NA
ATOM     14  H   LIG    1       -7.343   1.151  -1.047  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1       -6.167  -0.526  -0.878  0.00  0.00    +0.081 C 
ATOM     16  C   LIG    1       -4.652  -0.640  -0.776  0.00  0.00    +0.029 C 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1        2.440  -1.611   1.406  0.00  0.00    +0.163 C 
BRANCH  17  18
ATOM     18  N   LIG    1        3.008  -1.354   0.080  0.00  0.00    -0.289 N 
ATOM     19  C   LIG    1        3.884  -0.247  -0.150  0.00  0.00    +0.059 A 
ATOM     20  C   LIG    1        4.399  -0.031  -1.434  0.00  0.00    +0.063 A 
ATOM     21  C   LIG    1        5.257   1.043  -1.712  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        5.614   1.923  -0.696  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.114   1.727   0.588  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        4.032  -0.954  -2.518  0.00  0.00    +0.262 A 
ATOM     25  O   LIG    1        4.435  -0.805  -3.666  0.00  0.00    -0.267 OA
ATOM     26  N   LIG    1        3.206  -1.985  -2.171  0.00  0.00    -0.274 N 
ATOM     27  H   LIG    1        2.936  -2.615  -2.911  0.00  0.00    +0.173 HD
ATOM     28  C   LIG    1        4.258   0.652   0.859  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1        2.652  -2.216  -0.946  0.00  0.00    +0.330 A 
ATOM     30  O   LIG    1        1.863  -3.152  -0.814  0.00  0.00    -0.246 OA
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 4