REMARK  Name = BDB037015
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.951  -0.231   0.354  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -1.976  -0.001   1.286  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -1.425   1.049   1.566  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -1.646  -1.293   1.889  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -2.449  -2.242   1.279  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -2.374  -3.582   1.597  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -1.445  -3.949   2.571  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.629  -2.978   3.195  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -0.706  -1.617   2.859  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -3.307  -1.551   0.321  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -4.167  -2.095  -0.344  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -6.776   2.640  -2.347  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -5.845   2.083  -1.775  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -5.919   1.768  -0.441  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.800   1.968   0.013  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.981   1.116   0.329  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -5.218   0.849   1.505  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -3.639   0.838  -0.355  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -3.848   0.572  -1.843  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -4.540   1.772  -2.473  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1        0.052  -0.635   3.511  0.00  0.00    -0.338 N 
ATOM     22  H   LIG    1       -0.136   0.290   3.110  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.504  -0.863   3.591  0.00  0.00    +0.160 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.267  -0.812   2.308  0.00  0.00    +0.100 A 
ATOM     25  N   LIG    1        3.207  -1.763   2.000  0.00  0.00    -0.133 NA
ATOM     26  N   LIG    1        3.719  -1.469   0.812  0.00  0.00    -0.065 NA
ATOM     27  N   LIG    1        3.116  -0.351   0.379  0.00  0.00    -0.251 N 
ATOM     28  C   LIG    1        2.197   0.100   1.275  0.00  0.00    +0.135 A 
BRANCH  27  29
ATOM     29  C   LIG    1        3.470   0.220  -0.900  0.00  0.00    +0.145 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.721   1.093  -0.813  0.00  0.00    +0.030 C 
BRANCH  30  31
ATOM     31  C   LIG    1        5.080   1.668  -2.154  0.00  0.00    +0.029 C 
ATOM     32  C   LIG    1        6.440   2.263  -2.441  0.00  0.00    +0.122 C 
ATOM     33 CL   LIG    1        6.497   3.666  -3.504  0.00  0.00    -0.101 Cl
ATOM     34 CL   LIG    1        7.688   2.268  -1.209  0.00  0.00    -0.101 Cl
ATOM     35  C   LIG    1        6.049   0.942  -3.050  0.00  0.00    +0.045 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 7