REMARK  Name = BDB014632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.147   0.990  -1.251  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        2.072  -0.169  -1.646  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1        0.982  -0.985  -1.416  0.00  0.00    -0.313 N 
ATOM      4  H   LIG    1        1.136  -1.983  -1.514  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.087  -0.562  -0.513  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.373  -1.358  -0.781  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -1.841  -1.119  -2.116  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -1.053  -0.920  -2.654  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -2.486  -1.082   0.256  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -2.754   0.339   0.562  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -3.689   0.473   1.699  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -5.144   0.212   1.371  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -5.620   0.335   0.052  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -6.979   0.122  -0.220  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -7.864  -0.187   0.812  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.399  -0.290   2.122  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.664   0.632  -1.077  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -6.047  -0.088   2.401  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.292   1.107  -0.577  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        3.160  -0.850  -2.456  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.388   0.035  -2.645  0.00  0.00    +0.083 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.176   0.174  -1.385  0.00  0.00    +0.109 A 
ATOM     23  N   LIG    1        4.830   1.070  -0.402  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1        4.007   1.662  -0.425  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        5.733   0.955   0.622  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1        6.615  -0.039   0.200  0.00  0.00    +0.107 A 
ATOM     27  C   LIG    1        7.671  -0.383   1.060  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1        7.821   0.253   2.294  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        6.913   1.241   2.680  0.00  0.00    +0.004 A 
ATOM     30 CL   LIG    1        8.736  -1.605   0.526  0.00  0.00    -0.081 Cl
ATOM     31  C   LIG    1        5.846   1.613   1.852  0.00  0.00    +0.028 A 
ATOM     32  N   LIG    1        6.246  -0.511  -1.044  0.00  0.00    -0.231 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8