REMARK  Name = BDB055088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.776   1.942   0.606  0.00  0.00    +0.077 A 
ATOM      2  C   LIG    1       -1.779   1.374  -0.185  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1       -2.842   2.090  -0.716  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1       -3.674   1.291  -1.451  0.00  0.00    -0.205 NA
ATOM      5  C   LIG    1       -3.136   0.089  -1.383  0.00  0.00    +0.177 A 
ATOM      6  N   LIG    1       -3.014   3.414  -0.519  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -2.050   3.978   0.247  0.00  0.00    +0.135 A 
ATOM      8  N   LIG    1       -1.991   0.096  -0.629  0.00  0.00    -0.333 N 
ATOM      9  H   LIG    1       -1.409  -0.710  -0.443  0.00  0.00    +0.168 HD
ATOM     10  C   LIG    1       -0.953   3.323   0.813  0.00  0.00    +0.082 A 
ATOM     11 CL   LIG    1        0.144   4.267   1.757  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1        2.628   0.487   2.753  0.00  0.00    -0.294 NA
ATOM     13  C   LIG    1        1.310  -0.156   2.900  0.00  0.00    +0.103 C 
ATOM     14  C   LIG    1        0.141   0.779   2.517  0.00  0.00    +0.120 C 
ATOM     15  N   LIG    1        0.239   1.130   1.086  0.00  0.00    -0.325 N 
ATOM     16  C   LIG    1        1.604   1.390   0.582  0.00  0.00    +0.120 C 
ATOM     17  C   LIG    1        2.652   1.529   1.714  0.00  0.00    +0.103 C 
BRANCH  12  18
ATOM     18  C   LIG    1        3.751  -0.459   2.734  0.00  0.00    +0.143 C 
BRANCH  18  23
ATOM     19  C   LIG    1        4.789  -2.455  -1.866  0.00  0.00    +0.089 C 
ATOM     20  C   LIG    1        4.363  -2.079  -0.507  0.00  0.00    +0.135 A 
ATOM     21  O   LIG    1        3.569  -2.970   0.143  0.00  0.00    -0.360 OA
ATOM     22  N   LIG    1        3.262  -2.482   1.400  0.00  0.00    -0.082 NA
ATOM     23  C   LIG    1        3.858  -1.284   1.486  0.00  0.00    +0.098 A 
ATOM     24  C   LIG    1        4.586  -0.996   0.305  0.00  0.00    +0.072 A 
ENDBRANCH  18  23
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   5  25
ATOM     25  C   LIG    1       -3.628  -1.104  -1.990  0.00  0.00    +0.176 A 
ATOM     26  N   LIG    1       -4.765  -1.212  -2.753  0.00  0.00    -0.331 N 
ATOM     27  C   LIG    1       -5.682  -0.150  -3.091  0.00  0.00    +0.150 C 
ATOM     28  C   LIG    1       -4.883  -2.519  -3.144  0.00  0.00    +0.107 A 
ATOM     29  C   LIG    1       -3.797  -3.156  -2.593  0.00  0.00    +0.131 A 
ATOM     30  N   LIG    1       -3.025  -2.275  -1.881  0.00  0.00    -0.233 NA
ENDBRANCH   5  25
TORSDOF 4