REMARK  Name = BDB034759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.675   0.937  -4.793  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        0.367   0.520  -3.457  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        1.247   0.561  -2.370  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1        0.574   0.075  -1.250  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.192  -0.010  -0.017  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        2.529   0.416   0.090  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        3.194   0.903  -1.060  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1       -0.728  -0.267  -1.646  0.00  0.00    -0.290 N 
ATOM      9  C   LIG    1        2.556   0.983  -2.305  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -0.872   0.003  -3.027  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1       -1.870  -0.176  -3.706  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1        3.173   0.289   1.340  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        2.529   0.377   2.124  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        4.537   0.149   1.683  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        5.043   0.660   2.894  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1        6.402   0.524   3.147  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1        7.156   1.100   4.585  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1        7.279  -0.068   2.305  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1        6.779  -0.552   1.154  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1        5.441  -0.464   0.805  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.184   1.300   3.838  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1        3.434   1.792   4.575  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   8  23
ATOM     23  C   LIG    1       -1.780  -0.793  -0.806  0.00  0.00    +0.145 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.893   0.238  -0.493  0.00  0.00    +0.077 C 
ATOM     25  N   LIG    1       -4.033  -0.201   0.345  0.00  0.00    -0.296 NA
ATOM     26  C   LIG    1       -3.937   0.452   1.644  0.00  0.00    +0.085 C 
ATOM     27  C   LIG    1       -3.385   1.814   1.278  0.00  0.00    +0.017 C 
ATOM     28  C   LIG    1       -2.337   1.473   0.236  0.00  0.00    +0.022 C 
BRANCH  25  29
ATOM     29  C   LIG    1       -4.324  -1.635   0.375  0.00  0.00    +0.112 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -5.637  -2.018   1.085  0.00  0.00    +0.171 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -6.767  -1.530   0.371  0.00  0.00    -0.394 OA
ATOM     32  H   LIG    1       -7.549  -1.693   0.923  0.00  0.00    +0.209 HD
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  23  24
ENDBRANCH   8  23
TORSDOF 8