REMARK  Name = BDB031198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.681   0.831  -1.043  0.00  0.00    +0.229 C 
ATOM      2  N   LIG    1       -1.661   1.004  -0.055  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -2.443  -0.135   0.436  0.00  0.00    +0.144 C 
ATOM      4  C   LIG    1       -3.648  -0.191  -0.491  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1       -3.984   1.295  -0.627  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -2.642   2.033  -0.413  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -0.767  -0.043  -1.904  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -1.714  -1.425   0.647  0.00  0.00    +0.128 A 
ATOM      9  N   LIG    1       -1.093  -2.132  -0.356  0.00  0.00    -0.347 N 
ATOM     10  H   LIG    1       -0.998  -1.806  -1.313  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1       -0.554  -3.264   0.186  0.00  0.00    +0.104 A 
ATOM     12  C   LIG    1       -0.887  -3.212   1.516  0.00  0.00    +0.130 A 
ATOM     13  N   LIG    1       -1.601  -2.076   1.792  0.00  0.00    -0.239 NA
ENDBRANCH   3   8
BRANCH   5  14
ATOM     14  O   LIG    1       -4.908   1.675   0.390  0.00  0.00    -0.390 OA
ATOM     15  H   LIG    1       -5.736   1.184   0.242  0.00  0.00    +0.210 HD
ENDBRANCH   5  14
BRANCH   1  16
ATOM     16  C   LIG    1        0.470   1.845  -0.953  0.00  0.00    +0.165 C 
BRANCH  16  19
ATOM     17  C   LIG    1        2.018   0.440   1.911  0.00  0.00    +0.217 A 
ATOM     18  O   LIG    1        1.301   0.288   0.757  0.00  0.00    -0.424 OA
ATOM     19  C   LIG    1        1.230   1.578   0.301  0.00  0.00    +0.229 A 
ATOM     20  N   LIG    1        1.881   2.425   1.072  0.00  0.00    -0.112 NA
ATOM     21  N   LIG    1        2.392   1.684   2.119  0.00  0.00    -0.112 NA
BRANCH  17  22
ATOM     22  C   LIG    1        2.238  -0.771   2.733  0.00  0.00    +0.097 C 
BRANCH  22  24
ATOM     23  C   LIG    1        3.350  -3.027   2.867  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        3.135  -1.782   2.022  0.00  0.00    +0.006 C 
ENDBRANCH  22  24
ENDBRANCH  17  22
ENDBRANCH  16  19
BRANCH  16  25
ATOM     25  C   LIG    1        1.412   1.902  -2.181  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        0.667   2.368  -3.437  0.00  0.00    +0.008 C 
ATOM     27  C   LIG    1        2.183   0.609  -2.471  0.00  0.00    +0.008 C 
ENDBRANCH  16  25
ENDBRANCH   1  16
TORSDOF 7