REMARK  Name = BDB002442
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.039   0.005  -1.969  0.00  0.00    +0.325 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.476  -0.024  -2.176  0.00  0.00    +0.257 C 
ATOM      3  N   LIG    1        2.176  -0.170  -1.006  0.00  0.00    -0.249 N 
ATOM      4  H   LIG    1        1.669  -0.244  -0.134  0.00  0.00    +0.158 HD
ATOM      5  O   LIG    1        1.955   0.078  -3.302  0.00  0.00    -0.272 OA
BRANCH   3   6
ATOM      6  C   LIG    1        3.534  -0.225  -0.906  0.00  0.00    +0.262 A 
ATOM      7  N   LIG    1        4.138  -0.368   0.280  0.00  0.00    -0.115 NA
ATOM      8  N   LIG    1        5.424  -0.375  -0.118  0.00  0.00    -0.165 N 
ATOM      9  C   LIG    1        6.517  -0.480   0.809  0.00  0.00    +0.199 C 
ATOM     10  N   LIG    1        5.629  -0.235  -1.434  0.00  0.00    -0.045 NA
ATOM     11  N   LIG    1        4.411  -0.143  -1.952  0.00  0.00    -0.092 NA
ENDBRANCH   3   6
ENDBRANCH   1   2
BRANCH   1  12
ATOM     12  O   LIG    1       -0.367  -0.125  -0.588  0.00  0.00    -0.482 OA
BRANCH  12  18
ATOM     13  C   LIG    1       -5.788  -0.140   1.125  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1       -4.367  -0.161   0.644  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1       -3.311  -0.277   1.554  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -1.976  -0.267   1.118  0.00  0.00    -0.009 A 
ATOM     17  C   LIG    1       -0.866  -0.402   2.123  0.00  0.00    +0.047 C 
ATOM     18  C   LIG    1       -1.696  -0.126  -0.253  0.00  0.00    +0.124 A 
ATOM     19  C   LIG    1       -2.750   0.006  -1.160  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -4.075  -0.006  -0.714  0.00  0.00    +0.007 A 
ENDBRANCH  12  18
ENDBRANCH   1  12
TORSDOF 4