REMARK  Name = BDB016810
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.141  -0.745  -0.245  0.00  0.00    -0.320 N 
ATOM      2  C   LIG    1        0.791  -0.663  -0.275  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1       -0.328  -1.124  -1.015  0.00  0.00    +0.270 C 
ATOM      4  N   LIG    1       -1.464  -0.562  -0.350  0.00  0.00    -0.252 N 
ATOM      5  C   LIG    1       -1.040   0.323   0.797  0.00  0.00    +0.163 C 
ATOM      6  O   LIG    1       -0.268  -1.850  -1.992  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        0.427   0.147   0.746  0.00  0.00    +0.097 A 
ATOM      8  N   LIG    1        1.496   0.569   1.462  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.546   0.001   0.863  0.00  0.00    +0.147 A 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -2.808  -0.810  -0.643  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1       -3.815  -0.288   0.086  0.00  0.00    +0.112 A 
ATOM     12  N   LIG    1       -5.152  -0.522  -0.195  0.00  0.00    -0.316 N 
ATOM     13  C   LIG    1       -6.157   0.102   0.653  0.00  0.00    +0.152 C 
ATOM     14  C   LIG    1       -5.566  -1.320  -1.257  0.00  0.00    +0.254 A 
ATOM     15  O   LIG    1       -6.740  -1.548  -1.536  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -4.469  -1.913  -2.081  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -4.883  -2.776  -3.230  0.00  0.00    +0.049 C 
ATOM     18  C   LIG    1       -3.188  -1.653  -1.766  0.00  0.00    +0.033 A 
ENDBRANCH   4  10
BRANCH   5  19
ATOM     19  C   LIG    1       -1.279   1.811   0.605  0.00  0.00    -0.021 A 
ATOM     20  C   LIG    1       -1.341   2.642   1.739  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -1.559   4.017   1.611  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -1.714   4.577   0.347  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -1.983   6.269   0.188  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -1.648   3.777  -0.790  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.427   2.402  -0.663  0.00  0.00    +0.007 A 
ENDBRANCH   5  19
BRANCH   9  26
ATOM     26  C   LIG    1        3.931   0.204   1.283  0.00  0.00    +0.079 A 
ATOM     27  C   LIG    1        4.762  -0.830   1.721  0.00  0.00    +0.225 A 
ATOM     28  N   LIG    1        6.051  -0.648   2.104  0.00  0.00    -0.221 NA
ATOM     29  C   LIG    1        6.522   0.617   2.086  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1        5.772   1.714   1.699  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        4.457   1.500   1.296  0.00  0.00    +0.018 A 
BRANCH  27  32
ATOM     32  O   LIG    1        4.237  -2.110   1.753  0.00  0.00    -0.479 OA
ATOM     33  C   LIG    1        5.117  -3.067   2.334  0.00  0.00    +0.279 C 
ENDBRANCH  27  32
ENDBRANCH   9  26
BRANCH   1  35
ATOM     34  C   LIG    1        3.290  -0.517  -2.410  0.00  0.00    +0.027 C 
ATOM     35  C   LIG    1        2.962  -1.417  -1.231  0.00  0.00    +0.120 C 
ENDBRANCH   1  35
TORSDOF 5