REMARK  Name = BDB022219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.666   0.072   0.126  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1        0.254   0.463  -0.125  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        0.005   1.810  -0.376  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1       -1.312   2.209  -0.633  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -2.358   1.279  -0.613  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.120  -0.069  -0.338  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1        1.085   2.724  -0.341  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        0.859   4.139  -0.584  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1        2.374   2.296  -0.026  0.00  0.00    +0.350 A 
ATOM     10  O   LIG    1        3.308   3.093   0.050  0.00  0.00    -0.244 OA
ATOM     11  C   LIG    1       -0.801  -0.465  -0.084  0.00  0.00    +0.036 A 
ATOM     12  N   LIG    1        2.603   0.963   0.181  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1        1.972  -1.269   0.291  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1        1.394  -1.925  -0.219  0.00  0.00    +0.148 HD
BRANCH  13  16
ATOM     15  C   LIG    1        3.781  -1.421   1.955  0.00  0.00    +0.028 C 
ATOM     16  C   LIG    1        3.316  -1.807   0.553  0.00  0.00    +0.071 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.277  -1.536  -0.624  0.00  0.00    +0.049 C 
BRANCH  17  18
ATOM     18  C   LIG    1        5.424  -0.568  -0.363  0.00  0.00    +0.157 C 
BRANCH  18  19
ATOM     19  O   LIG    1        6.415  -1.200   0.441  0.00  0.00    -0.395 OA
ATOM     20  H   LIG    1        7.079  -0.517   0.641  0.00  0.00    +0.209 HD
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  N   LIG    1       -3.147  -1.027  -0.245  0.00  0.00    -0.313 N 
ATOM     22  H   LIG    1       -2.836  -1.969  -0.479  0.00  0.00    +0.152 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.530  -0.898   0.027  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1       -5.471  -1.779  -0.539  0.00  0.00    +0.110 A 
ATOM     25  C   LIG    1       -6.816  -1.566  -0.265  0.00  0.00    +0.148 A 
ATOM     26 CL   LIG    1       -8.075  -2.562  -0.889  0.00  0.00    -0.061 Cl
ATOM     27  N   LIG    1       -7.287  -0.565   0.513  0.00  0.00    -0.242 NA
ATOM     28  C   LIG    1       -6.373   0.266   1.046  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1       -5.011   0.144   0.831  0.00  0.00    +0.044 A 
BRANCH  24  30
ATOM     30  C   LIG    1       -5.057  -2.859  -1.375  0.00  0.00    +0.104 C 
ATOM     31  N   LIG    1       -4.655  -3.729  -2.031  0.00  0.00    -0.191 NA
ENDBRANCH  24  30
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 8