REMARK  Name = BDB000699
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.499   0.385   1.686  0.00  0.00    +0.197 C 
ENDROOT
BRANCH   1   3
ATOM      2  N   LIG    1        1.786  -0.154   1.060  0.00  0.00    -0.205 NA
ATOM      3  C   LIG    1        1.043   0.710   1.794  0.00  0.00    +0.256 C 
ATOM      4  O   LIG    1        1.522   1.605   2.497  0.00  0.00    -0.272 OA
BRANCH   2   5
ATOM      5  C   LIG    1        3.228   0.021   1.220  0.00  0.00    +0.173 C 
BRANCH   5   6
ATOM      6  C   LIG    1        3.786   1.327   0.664  0.00  0.00    +0.181 C 
ATOM      7  O   LIG    1        4.890   1.779   0.985  0.00  0.00    -0.293 OA
BRANCH   6   8
ATOM      8  C   LIG    1        3.107   1.962  -0.454  0.00  0.00    +0.160 C 
ATOM      9 CL   LIG    1        2.364   2.734  -1.864  0.00  0.00    -0.105 Cl
ENDBRANCH   6   8
ENDBRANCH   5   6
BRANCH   5  10
ATOM     10  C   LIG    1        3.883  -1.103   0.511  0.00  0.00    +0.025 C 
BRANCH  10  11
ATOM     11  C   LIG    1        4.512  -2.263  -0.283  0.00  0.00    +0.028 C 
BRANCH  11  12
ATOM     12  C   LIG    1        5.067  -3.429  -1.123  0.00  0.00    +0.129 C 
BRANCH  12  15
ATOM     13  N   LIG    1        3.415  -4.335  -3.121  0.00  0.00    -0.104 NA
ATOM     14  C   LIG    1        4.738  -4.886  -2.815  0.00  0.00    +0.284 C 
ATOM     15  N   LIG    1        5.519  -4.445  -1.881  0.00  0.00    -0.234 NA
ATOM     16  N   LIG    1        5.223  -6.004  -3.633  0.00  0.00    -0.104 NA
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   5  10
ENDBRANCH   2   5
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  N   LIG    1       -1.343   1.378   2.390  0.00  0.00    -0.203 NA
ATOM     18  C   LIG    1       -2.583   0.950   2.734  0.00  0.00    +0.252 C 
ATOM     19  O   LIG    1       -2.976  -0.222   2.772  0.00  0.00    -0.272 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -3.514   2.157   3.045  0.00  0.00    +0.169 C 
ATOM     21  N   LIG    1       -4.489   1.953   4.204  0.00  0.00    -0.216 NA
ATOM     22  C   LIG    1       -5.766   2.213   3.488  0.00  0.00    +0.089 C 
ATOM     23  C   LIG    1       -6.027   2.488   2.004  0.00  0.00    +0.020 C 
ATOM     24  C   LIG    1       -4.496   2.406   1.952  0.00  0.00    +0.022 C 
ENDBRANCH  18  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1       -0.923   0.348   0.259  0.00  0.00    +0.050 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.393   0.216  -1.082  0.00  0.00    -0.037 A 
ATOM     27  C   LIG    1       -0.533  -0.224  -2.089  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -1.015  -0.411  -3.391  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -2.361  -0.168  -3.682  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -3.218   0.288  -2.676  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.732   0.481  -1.377  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 12