REMARK  Name = BDB019191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.100   0.594  -1.297  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.900  -0.852  -1.765  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.509  -0.788  -2.311  0.00  0.00    +0.178 C 
ATOM      4  C   LIG    1       -1.219   0.127  -1.311  0.00  0.00    +0.173 C 
ATOM      5  O   LIG    1       -0.201   1.090  -0.895  0.00  0.00    -0.346 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.761  -0.594  -0.031  0.00  0.00    +0.116 C 
ATOM      7  C   LIG    1       -2.841   0.247   0.657  0.00  0.00    -0.025 A 
ATOM      8  C   LIG    1       -4.201  -0.124   0.602  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -5.171   0.671   1.232  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -4.797   1.836   1.898  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -3.461   2.216   1.952  0.00  0.00    +0.020 A 
ATOM     12 CL   LIG    1       -5.995   2.806   2.663  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -4.622  -1.404  -0.074  0.00  0.00    +0.050 C 
ATOM     14  C   LIG    1       -3.517  -1.989  -0.955  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1       -2.489   1.425   1.336  0.00  0.00    +0.007 A 
ATOM     16  N   LIG    1       -2.220  -1.981  -0.266  0.00  0.00    -0.307 NA
ATOM     17  H   LIG    1       -2.341  -2.425   0.646  0.00  0.00    +0.123 HD
ENDBRANCH   4   6
BRANCH   1  23
ATOM     18  C   LIG    1        6.072   0.447   2.409  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1        5.273   0.174   1.174  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1        3.940   0.574   0.997  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        2.974   1.276   1.765  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        1.825   1.366   1.009  0.00  0.00    +0.091 A 
ATOM     23  N   LIG    1        2.043   0.720  -0.186  0.00  0.00    -0.303 N 
ATOM     24  C   LIG    1        3.338   0.248  -0.212  0.00  0.00    +0.146 A 
ATOM     25  N   LIG    1        3.907  -0.418  -1.235  0.00  0.00    -0.218 NA
ATOM     26  C   LIG    1        5.185  -0.745  -0.962  0.00  0.00    +0.223 A 
ATOM     27  N   LIG    1        5.885  -0.496   0.160  0.00  0.00    -0.240 NA
ENDBRANCH   1  23
BRANCH   2  28
ATOM     28  O   LIG    1        1.798  -1.270  -2.797  0.00  0.00    -0.385 OA
ATOM     29  H   LIG    1        2.702  -1.137  -2.434  0.00  0.00    +0.210 HD
ENDBRANCH   2  28
BRANCH   3  30
ATOM     30  O   LIG    1       -0.472  -0.161  -3.608  0.00  0.00    -0.386 OA
ATOM     31  H   LIG    1        0.274  -0.596  -4.073  0.00  0.00    +0.210 HD
ENDBRANCH   3  30
TORSDOF 4