REMARK  Name = BDB012414
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.244   0.261   0.192  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.895   1.568   0.558  0.00  0.00    +0.217 A 
ATOM      3  C   LIG    1       -0.354   1.795   0.027  0.00  0.00    +0.093 A 
ATOM      4  C   LIG    1       -0.747   0.562  -0.506  0.00  0.00    +0.078 A 
ATOM      5  N   LIG    1        0.180  -0.384  -0.368  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.875  -0.408   0.638  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        3.674   0.300   0.541  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.508  -0.414   0.307  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        2.526  -1.769   0.148  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        3.697  -2.425   0.271  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        4.897  -1.795   0.523  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        6.137   1.285   1.700  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        6.109   0.355   0.914  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        7.167  -0.057   0.190  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        6.963  -0.688  -0.526  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   4  16
ATOM     16  C   LIG    1       -2.149   0.295  -1.166  0.00  0.00    +0.040 C 
ATOM     17  C   LIG    1       -2.443   0.984  -2.487  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1       -2.165  -0.486  -2.470  0.00  0.00    +0.019 C 
BRANCH  16  19
ATOM     19  C   LIG    1       -3.266   0.058  -0.166  0.00  0.00    -0.035 A 
ATOM     20  C   LIG    1       -4.151   1.083   0.217  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1       -5.171   0.857   1.146  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -5.321  -0.404   1.715  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -6.575  -0.684   2.859  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -4.459  -1.437   1.364  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -3.442  -1.204   0.435  0.00  0.00    +0.006 A 
ENDBRANCH  16  19
ENDBRANCH   4  16
BRANCH   2  26
ATOM     26  O   LIG    1        1.634   2.401   1.290  0.00  0.00    -0.492 OA
ATOM     27  H   LIG    1        2.078   1.899   1.998  0.00  0.00    +0.294 HD
ENDBRANCH   2  26
TORSDOF 6