REMARK  Name = BDB034696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.040   0.245  -1.078  0.00  0.00    -0.292 N 
ATOM      2  C   LIG    1       -0.276  -0.092  -0.727  0.00  0.00    +0.072 A 
ATOM      3  C   LIG    1       -0.496  -1.413  -1.114  0.00  0.00    +0.070 A 
ATOM      4  C   LIG    1       -1.705  -2.036  -0.905  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -2.714  -1.286  -0.286  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -2.507   0.055   0.120  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1        0.682  -1.896  -1.696  0.00  0.00    -0.295 N 
ATOM      8  C   LIG    1        0.872  -3.223  -2.205  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1       -1.259   0.659  -0.113  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1        1.656  -0.878  -1.675  0.00  0.00    +0.330 A 
ATOM     11  O   LIG    1        2.809  -0.949  -2.069  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -3.529   0.832   0.707  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1       -3.169   1.548   1.336  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -4.937   0.747   0.620  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1       -5.762   1.137   1.692  0.00  0.00    +0.110 A 
ATOM     16  C   LIG    1       -7.135   0.984   1.552  0.00  0.00    +0.148 A 
ATOM     17 CL   LIG    1       -8.263   1.419   2.781  0.00  0.00    -0.061 Cl
ATOM     18  N   LIG    1       -7.740   0.482   0.452  0.00  0.00    -0.242 NA
ATOM     19  C   LIG    1       -6.937   0.114  -0.562  0.00  0.00    +0.114 A 
ATOM     20  C   LIG    1       -5.556   0.221  -0.522  0.00  0.00    +0.044 A 
BRANCH  15  21
ATOM     21  C   LIG    1       -5.205   1.674   2.893  0.00  0.00    +0.104 C 
ATOM     22  N   LIG    1       -4.700   2.120   3.838  0.00  0.00    -0.191 NA
ENDBRANCH  15  21
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  23
ATOM     23  C   LIG    1        1.684   1.513  -0.840  0.00  0.00    +0.130 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.222   1.659   0.583  0.00  0.00    +0.065 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.359   0.689   0.943  0.00  0.00    +0.228 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.580   0.937   0.041  0.00  0.00    +0.336 C 
ATOM     27  O   LIG    1        4.864   2.008  -0.483  0.00  0.00    -0.248 OA
BRANCH  26  29
ATOM     28  C   LIG    1        6.423  -0.094  -0.969  0.00  0.00    +0.280 C 
ATOM     29  O   LIG    1        5.311  -0.210  -0.082  0.00  0.00    -0.466 OA
ENDBRANCH  26  29
ENDBRANCH  25  26
BRANCH  25  30
ATOM     30  O   LIG    1        3.628   0.891   2.336  0.00  0.00    -0.369 OA
ATOM     31  C   LIG    1        4.455  -0.118   2.901  0.00  0.00    +0.195 C 
ENDBRANCH  25  30
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 9