REMARK  Name = BDB048735
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.415  -0.765  -0.323  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1        1.653  -1.282   0.141  0.00  0.00    +0.135 A 
ATOM      3  N   LIG    1        1.516  -2.495   0.701  0.00  0.00    -0.170 NA
ATOM      4  N   LIG    1        0.202  -2.751   0.579  0.00  0.00    -0.283 N 
ATOM      5  H   LIG    1       -0.153  -3.633   0.935  0.00  0.00    +0.188 HD
ATOM      6  C   LIG    1       -0.496  -1.757  -0.040  0.00  0.00    +0.113 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        3.058  -0.602   0.067  0.00  0.00    +0.160 A 
ATOM      8  N   LIG    1        4.185  -1.206   0.561  0.00  0.00    -0.337 N 
ATOM      9  H   LIG    1        4.188  -2.114   1.001  0.00  0.00    +0.167 HD
ATOM     10  C   LIG    1        5.250  -0.371   0.352  0.00  0.00    +0.070 A 
ATOM     11  C   LIG    1        4.692   0.734  -0.282  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1        5.521   1.802  -0.646  0.00  0.00    +0.033 A 
ATOM     13  C   LIG    1        6.890   1.713  -0.355  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1        7.432   0.591   0.283  0.00  0.00    +0.122 A 
ATOM     15  C   LIG    1        6.613  -0.484   0.653  0.00  0.00    +0.073 A 
ATOM     16  N   LIG    1        3.337   0.577  -0.452  0.00  0.00    -0.226 NA
BRANCH  14  17
ATOM     17  O   LIG    1        8.785   0.665   0.493  0.00  0.00    -0.495 OA
ATOM     18  C   LIG    1        9.399  -0.441   1.141  0.00  0.00    +0.277 C 
ENDBRANCH  14  17
ENDBRANCH   2   7
BRANCH   1  20
ATOM     19  C   LIG    1       -0.943   1.233  -0.993  0.00  0.00    +0.010 C 
ATOM     20  C   LIG    1        0.166   0.473  -0.987  0.00  0.00    +0.012 C 
BRANCH  19  23
ATOM     21  C   LIG    1       -4.599   0.831  -0.216  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1       -3.410   1.008  -0.930  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -2.189   1.018  -0.253  0.00  0.00    -0.006 A 
ATOM     24  C   LIG    1       -2.221   0.877   1.133  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1       -3.356   0.711   1.857  0.00  0.00    -0.262 NA
ATOM     26  C   LIG    1       -4.520   0.706   1.164  0.00  0.00    +0.123 A 
BRANCH  21  29
ATOM     27  N   LIG    1       -6.930   0.124  -0.348  0.00  0.00    -0.312 N 
ATOM     28  H   LIG    1       -6.703  -0.566   0.356  0.00  0.00    +0.149 HD
ATOM     29  C   LIG    1       -5.892   0.821  -0.939  0.00  0.00    +0.246 C 
ATOM     30  O   LIG    1       -5.987   1.385  -2.023  0.00  0.00    -0.270 OA
BRANCH  27  32
ATOM     31  C   LIG    1       -9.288  -0.498  -0.121  0.00  0.00    +0.024 C 
ATOM     32  C   LIG    1       -8.183  -0.049  -1.056  0.00  0.00    +0.101 C 
ENDBRANCH  27  32
ENDBRANCH  21  29
ENDBRANCH  19  23
ENDBRANCH   1  20
TORSDOF 6