REMARK  Name = BDB034688
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.090   1.257   1.488  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -0.148   1.096   0.850  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -0.700   2.363   0.662  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.923   2.538   0.056  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -2.598   1.385  -0.368  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.051   0.090  -0.195  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1        0.200   3.307   1.170  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        0.021   4.729   1.133  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1       -0.799  -0.048   0.433  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1        1.337   2.637   1.671  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        2.338   3.146   2.150  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -2.738  -1.079  -0.583  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -2.110  -1.846  -0.819  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -4.116  -1.343  -0.761  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -4.564  -2.278  -1.714  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1       -5.933  -2.454  -1.865  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1       -6.622  -3.562  -2.991  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1       -6.872  -1.786  -1.158  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1       -6.426  -0.897  -0.252  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1       -5.083  -0.644  -0.027  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -3.638  -3.023  -2.505  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -2.839  -3.613  -3.105  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1        2.031   0.206   1.796  0.00  0.00    +0.129 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.992  -0.045   0.633  0.00  0.00    +0.051 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.891  -1.264   0.859  0.00  0.00    +0.162 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.705  -1.100   2.086  0.00  0.00    -0.318 NA
ATOM     27  H   LIG    1        5.378  -1.870   2.126  0.00  0.00    +0.119 HD
ATOM     28  H   LIG    1        5.297  -0.272   1.969  0.00  0.00    +0.119 HD
ENDBRANCH  25  26
BRANCH  25  29
ATOM     29  C   LIG    1        4.807  -1.486  -0.357  0.00  0.00    +0.324 C 
ATOM     30  O   LIG    1        6.031  -1.440  -0.321  0.00  0.00    -0.249 OA
BRANCH  29  32
ATOM     31  C   LIG    1        4.846  -2.007  -2.640  0.00  0.00    +0.280 C 
ATOM     32  O   LIG    1        4.067  -1.775  -1.465  0.00  0.00    -0.467 OA
ENDBRANCH  29  32
ENDBRANCH  25  29
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 9