REMARK  Name = BDB050440
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.079   1.341   0.655  0.00  0.00    -0.330 N 
ATOM      2  C   LIG    1        1.008   0.532   1.032  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        1.010  -0.136   2.277  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1       -0.054  -0.973   2.654  0.00  0.00    +0.006 A 
ATOM      5  C   LIG    1       -1.155  -1.139   1.821  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.219  -0.471   0.597  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1        2.167   0.003   3.235  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        2.969   1.260   2.946  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -0.137   0.358   0.231  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1        3.301   1.296   1.467  0.00  0.00    +0.105 C 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -2.373  -0.643  -0.302  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1       -3.689  -0.294   0.045  0.00  0.00    +0.132 A 
ATOM     13  C   LIG    1       -4.719  -0.498  -0.878  0.00  0.00    +0.089 A 
ATOM     14  C   LIG    1       -4.417  -1.036  -2.120  0.00  0.00    +0.120 A 
ATOM     15  N   LIG    1       -3.178  -1.387  -2.483  0.00  0.00    -0.240 NA
ATOM     16  C   LIG    1       -2.193  -1.186  -1.575  0.00  0.00    +0.125 A 
BRANCH  14  17
ATOM     17  N   LIG    1       -5.423  -1.265  -3.057  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1       -4.965  -1.625  -3.891  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1       -5.946  -0.420  -3.255  0.00  0.00    +0.144 HD
ENDBRANCH  14  17
BRANCH  12  20
ATOM     20  O   LIG    1       -3.870   0.244   1.295  0.00  0.00    -0.494 OA
ATOM     21  C   LIG    1       -5.190   0.610   1.675  0.00  0.00    +0.277 C 
ENDBRANCH  12  20
ENDBRANCH   6  11
BRANCH   1  22
ATOM     22  C   LIG    1        2.205   1.965  -0.668  0.00  0.00    +0.107 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.035   1.133  -1.646  0.00  0.00    +0.047 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.362  -0.166  -2.074  0.00  0.00    +0.161 C 
BRANCH  24  26
ATOM     25  C   LIG    1        4.172  -1.600  -2.636  0.00  0.00    +0.193 C 
ATOM     26  O   LIG    1        3.104  -0.797  -3.122  0.00  0.00    -0.383 OA
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7