REMARK  Name = BDB030778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.602  -4.636  -2.327  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -0.799  -3.461  -1.489  0.00  0.00    -0.310 N 
ATOM      3  C   LIG    1        0.278  -2.562  -1.253  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.059  -1.404  -0.486  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        1.113  -0.471  -0.360  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        2.379  -0.686  -0.919  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        2.582  -1.861  -1.640  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.262  -1.190   0.165  0.00  0.00    +0.056 A 
ATOM      9  N   LIG    1       -1.391  -0.129   1.052  0.00  0.00    -0.336 N 
ATOM     10  H   LIG    1       -0.537   0.203   1.489  0.00  0.00    +0.147 HD
ATOM     11  C   LIG    1       -2.437   0.888   0.961  0.00  0.00    +0.111 C 
ATOM     12  C   LIG    1       -3.660   0.405   0.161  0.00  0.00    +0.254 C 
ATOM     13  O   LIG    1       -4.204  -0.812   0.706  0.00  0.00    -0.459 OA
ATOM     14  C   LIG    1       -3.520  -1.987   0.674  0.00  0.00    +0.346 C 
ATOM     15  O   LIG    1       -3.955  -2.967   1.271  0.00  0.00    -0.245 OA
ATOM     16  C   LIG    1       -2.260  -2.058  -0.097  0.00  0.00    +0.145 A 
ATOM     17  C   LIG    1        1.548  -2.785  -1.810  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1       -2.086  -3.196  -1.035  0.00  0.00    +0.267 A 
ATOM     19  O   LIG    1       -3.065  -3.845  -1.401  0.00  0.00    -0.267 OA
ENDROOT
BRANCH  11  20
ATOM     20  C   LIG    1       -2.804   1.285   2.365  0.00  0.00    +0.012 C 
ATOM     21  C   LIG    1       -3.294   2.678   2.674  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -1.935   2.242   3.145  0.00  0.00    +0.006 C 
ENDBRANCH  11  20
BRANCH   6  23
ATOM     23  N   LIG    1        3.426   0.250  -0.834  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1        4.348  -0.184  -0.861  0.00  0.00    +0.152 HD
BRANCH  23  25
ATOM     25  C   LIG    1        3.417   1.652  -0.652  0.00  0.00    +0.053 A 
ATOM     26  C   LIG    1        4.457   2.308   0.034  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1        4.356   3.681   0.217  0.00  0.00    +0.148 A 
ATOM     28 CL   LIG    1        5.549   4.613   1.040  0.00  0.00    -0.061 Cl
ATOM     29  N   LIG    1        3.323   4.436  -0.220  0.00  0.00    -0.242 NA
ATOM     30  C   LIG    1        2.341   3.793  -0.877  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1        2.342   2.428  -1.107  0.00  0.00    +0.044 A 
BRANCH  26  32
ATOM     32  C   LIG    1        5.583   1.584   0.531  0.00  0.00    +0.104 C 
ATOM     33  N   LIG    1        6.482   0.948   0.897  0.00  0.00    -0.191 NA
ENDBRANCH  26  32
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 4