REMARK  Name = BDB048319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.831   0.271   0.177  0.00  0.00    +0.150 A 
ATOM      2  C   LIG    1       -1.502   1.452  -0.245  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -0.979   2.780  -0.659  0.00  0.00    +0.148 C 
ATOM      4  N   LIG    1       -2.081   3.742  -0.859  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -3.352   3.220  -1.410  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -3.939   2.060  -0.577  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -1.706   5.078  -0.936  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -0.544   5.449  -0.764  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -2.786   6.086  -1.233  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -2.842   1.133  -0.223  0.00  0.00    +0.047 A 
ATOM     11  N   LIG    1       -2.924  -0.157   0.199  0.00  0.00    -0.266 N 
ATOM     12  N   LIG    1       -1.715  -0.699   0.439  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        0.521   0.208   0.268  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        1.040   1.053   0.060  0.00  0.00    +0.154 HD
BRANCH  13  17
ATOM     15  C   LIG    1        3.692  -1.614   0.967  0.00  0.00    +0.038 A 
ATOM     16  C   LIG    1        2.775  -0.616   0.601  0.00  0.00    +0.036 A 
ATOM     17  C   LIG    1        1.388  -0.831   0.676  0.00  0.00    +0.033 A 
ATOM     18  C   LIG    1        0.950  -2.081   1.127  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        1.856  -3.076   1.513  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        3.227  -2.844   1.439  0.00  0.00    +0.013 A 
BRANCH  15  23
ATOM     21  N   LIG    1        5.983  -2.376   0.622  0.00  0.00    -0.312 N 
ATOM     22  H   LIG    1        5.594  -3.288   0.433  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        5.144  -1.306   0.858  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        5.535  -0.147   0.948  0.00  0.00    -0.270 OA
BRANCH  21  26
ATOM     25  C   LIG    1        8.106  -2.168   1.835  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1        7.414  -2.203   0.485  0.00  0.00    +0.101 C 
ENDBRANCH  21  26
ENDBRANCH  15  23
ENDBRANCH  13  17
ENDBRANCH   1  13
BRANCH  11  27
ATOM     27  C   LIG    1       -4.123  -0.953   0.422  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.559  -1.673  -0.822  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -3.975  -3.018  -1.175  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -5.405  -2.917  -0.720  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH  11  27
TORSDOF 6