REMARK  Name = BDB019159
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.550  -0.398  -1.107  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        1.322  -1.896  -0.883  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1        0.063  -1.892  -0.036  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -0.729  -0.749  -0.675  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.257   0.258  -0.989  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.848  -0.203   0.248  0.00  0.00    +0.183 C 
ATOM      7  C   LIG    1       -2.872   0.686  -0.463  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1       -4.248   0.559  -0.180  0.00  0.00    -0.036 A 
ATOM      9  C   LIG    1       -5.185   1.385  -0.821  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -4.758   2.363  -1.715  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -3.404   2.528  -1.976  0.00  0.00    +0.020 A 
ATOM     12 CL   LIG    1       -5.912   3.378  -2.488  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -4.734  -0.498   0.780  0.00  0.00    +0.096 C 
ATOM     14  C   LIG    1       -3.597  -1.001   1.668  0.00  0.00    +0.252 C 
ATOM     15  C   LIG    1       -2.468   1.699  -1.350  0.00  0.00    +0.008 A 
ATOM     16  O   LIG    1       -2.469  -1.343   0.874  0.00  0.00    -0.341 OA
BRANCH  14  17
ATOM     17  O   LIG    1       -3.253  -0.100   2.709  0.00  0.00    -0.367 OA
ATOM     18  H   LIG    1       -3.455   0.799   2.402  0.00  0.00    +0.212 HD
ENDBRANCH  14  17
ENDBRANCH   4   6
BRANCH   1  23
ATOM     19  C   LIG    1        5.778   0.576   1.059  0.00  0.00    +0.129 A 
ATOM     20  C   LIG    1        4.387   0.668   0.912  0.00  0.00    +0.058 A 
ATOM     21  C   LIG    1        3.318   1.305   1.599  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        2.149   0.996   0.934  0.00  0.00    +0.091 A 
ATOM     23  N   LIG    1        2.468   0.188  -0.133  0.00  0.00    -0.303 N 
ATOM     24  C   LIG    1        3.827  -0.018  -0.156  0.00  0.00    +0.148 A 
ATOM     25  N   LIG    1        4.485  -0.765  -1.056  0.00  0.00    -0.218 NA
ATOM     26  C   LIG    1        5.807  -0.780  -0.815  0.00  0.00    +0.225 A 
ATOM     27  N   LIG    1        6.480  -0.157   0.173  0.00  0.00    -0.220 NA
BRANCH  19  28
ATOM     28  N   LIG    1        6.490   1.215   2.064  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1        7.476   1.252   1.831  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        6.075   2.074   2.396  0.00  0.00    +0.144 HD
ENDBRANCH  19  28
ENDBRANCH   1  23
BRANCH   2  31
ATOM     31  O   LIG    1        1.046  -2.569  -2.125  0.00  0.00    -0.385 OA
ATOM     32  H   LIG    1        0.537  -3.366  -1.868  0.00  0.00    +0.210 HD
ENDBRANCH   2  31
BRANCH   3  33
ATOM     33  O   LIG    1       -0.599  -3.151  -0.103  0.00  0.00    -0.386 OA
ATOM     34  H   LIG    1       -1.447  -3.025   0.373  0.00  0.00    +0.210 HD
ENDBRANCH   3  33
TORSDOF 6