REMARK  Name = BDB043934
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.443  -0.351   0.144  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1        1.519   0.559   0.675  0.00  0.00    +0.091 A 
ATOM      3  C   LIG    1        0.454   1.039  -0.091  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1        0.319   0.598  -1.421  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        1.250  -0.301  -1.955  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        2.309  -0.773  -1.175  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -0.776   1.050  -2.287  0.00  0.00    +0.025 C 
ATOM      8  C   LIG    1       -2.048   0.629  -2.227  0.00  0.00    +0.047 C 
ATOM      9  C   LIG    1       -2.734  -0.344  -1.371  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -4.078  -0.316  -1.767  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1       -5.048  -1.103  -1.179  0.00  0.00    +0.025 A 
ATOM     12  C   LIG    1       -4.642  -1.954  -0.147  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1       -3.295  -1.994   0.254  0.00  0.00    +0.042 A 
ATOM     14 CL   LIG    1       -2.829  -3.055   1.530  0.00  0.00    -0.084 Cl
ATOM     15  N   LIG    1       -4.267   0.589  -2.808  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1       -5.140   0.788  -3.271  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1       -2.327  -1.193  -0.358  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1       -3.079   1.209  -3.160  0.00  0.00    +0.249 C 
ATOM     19  O   LIG    1       -2.911   2.034  -4.036  0.00  0.00    -0.270 OA
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  O   LIG    1        3.425  -0.727   1.019  0.00  0.00    -0.489 OA
BRANCH  20  22
ATOM     21  C   LIG    1        5.545  -1.169  -0.063  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1        4.335  -1.767   0.648  0.00  0.00    +0.167 C 
ATOM     23  C   LIG    1        4.775  -2.445   1.944  0.00  0.00    +0.051 C 
ENDBRANCH  20  22
ENDBRANCH   1  20
BRANCH   3  24
ATOM     24  O   LIG    1       -0.501   1.919   0.346  0.00  0.00    -0.489 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -0.525   2.337   1.713  0.00  0.00    +0.167 C 
ATOM     26  C   LIG    1       -1.312   3.645   1.752  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -1.223   1.287   2.573  0.00  0.00    +0.051 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 5