REMARK  Name = BDB061068
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.584   0.284   1.777  0.00  0.00    -0.312 N 
ATOM      2  H   LIG    1       -0.682   1.030   2.468  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1   8
ATOM      3  N   LIG    1        3.183  -0.160  -0.033  0.00  0.00    -0.226 N 
ATOM      4  C   LIG    1        3.031   0.949   0.798  0.00  0.00    +0.288 A 
ATOM      5  O   LIG    1        3.917   1.776   1.007  0.00  0.00    -0.265 OA
ATOM      6  C   LIG    1        1.692   1.099   1.440  0.00  0.00    +0.129 A 
ATOM      7 CL   LIG    1        1.462   2.475   2.471  0.00  0.00    -0.076 Cl
ATOM      8  C   LIG    1        0.687   0.241   1.220  0.00  0.00    +0.075 A 
ATOM      9  C   LIG    1        1.070  -0.918   0.379  0.00  0.00    +0.157 A 
ATOM     10  N   LIG    1        2.203  -1.110  -0.210  0.00  0.00    -0.174 NA
BRANCH   3  12
ATOM     11  C   LIG    1        4.811   0.664  -1.732  0.00  0.00    +0.032 C 
ATOM     12  C   LIG    1        4.449  -0.437  -0.735  0.00  0.00    +0.105 C 
ATOM     13  C   LIG    1        5.597  -0.720   0.234  0.00  0.00    +0.032 C 
ENDBRANCH   3  12
ENDBRANCH   1   8
BRANCH   1  14
ATOM     14  C   LIG    1       -1.813   0.073   1.110  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -1.942  -0.004  -0.280  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -3.189  -0.236  -0.872  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -4.337  -0.401  -0.087  0.00  0.00    -0.034 A 
ATOM     18  C   LIG    1       -4.213  -0.324   1.304  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1       -2.965  -0.092   1.892  0.00  0.00    +0.023 A 
BRANCH  17  20
ATOM     20  C   LIG    1       -5.675  -0.654  -0.733  0.00  0.00    +0.113 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -6.109   0.491  -1.523  0.00  0.00    -0.326 NA
ATOM     22  H   LIG    1       -7.056   0.326  -1.857  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1       -6.155   1.310  -0.918  0.00  0.00    +0.119 HD
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH   1  14
TORSDOF 5