REMARK  Name = BDB001247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.920  -0.084   1.339  0.00  0.00    -0.027 A 
ATOM      2  C   LIG    1       -1.552  -0.055   1.014  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -0.855   1.155   0.982  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -1.529   2.341   1.284  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -2.885   2.324   1.609  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.578   1.117   1.635  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.682  -1.388   1.348  0.00  0.00    +0.147 C 
BRANCH   7   9
ATOM      8  C   LIG    1       -5.950  -1.376   0.421  0.00  0.00    +0.403 C 
ATOM      9  N   LIG    1       -4.591  -1.529   0.218  0.00  0.00    -0.252 N 
ATOM     10  O   LIG    1       -6.462  -1.182   1.517  0.00  0.00    -0.226 OA
BRANCH   8  12
ATOM     11  C   LIG    1       -8.066  -1.281  -0.578  0.00  0.00    +0.282 C 
ATOM     12  O   LIG    1       -6.661  -1.480  -0.735  0.00  0.00    -0.454 OA
ENDBRANCH   8  12
BRANCH   9  13
ATOM     13  C   LIG    1       -4.023  -1.622  -1.127  0.00  0.00    +0.231 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -3.849  -0.255  -1.776  0.00  0.00    +0.322 C 
ATOM     15  O   LIG    1       -4.586   0.714  -1.683  0.00  0.00    -0.249 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -2.749  -0.192  -2.558  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -2.761   0.733  -2.884  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  O   LIG    1        0.468   1.317   0.676  0.00  0.00    -0.486 OA
BRANCH  18  19
ATOM     19  C   LIG    1        1.203   0.146   0.306  0.00  0.00    +0.288 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.618   0.473  -0.030  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1        3.144   1.599  -0.629  0.00  0.00    +0.129 A 
ATOM     22  C   LIG    1        2.584   2.863  -1.136  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.496   1.429  -0.730  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        4.728   0.192  -0.189  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        3.638  -0.421   0.234  0.00  0.00    -0.210 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.114  -0.267  -0.158  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        7.168   0.516  -0.657  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1        8.487   0.052  -0.614  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        8.764  -1.200  -0.069  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1       10.386  -1.771  -0.015  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        7.734  -1.992   0.431  0.00  0.00    +0.021 A 
ATOM     32  C   LIG    1        6.416  -1.526   0.385  0.00  0.00    +0.014 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 10