REMARK  Name = BDB018167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.002   1.016  -1.838  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -0.210   1.201  -0.334  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        1.133   1.207   0.406  0.00  0.00    +0.198 C 
ATOM      4  C   LIG    1        1.366  -0.280   0.736  0.00  0.00    +0.252 C 
ATOM      5  O   LIG    1        0.121  -0.980   0.501  0.00  0.00    -0.347 OA
ATOM      6  C   LIG    1       -0.909   0.023   0.365  0.00  0.00    +0.159 C 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1        2.440  -0.886  -0.039  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1        3.756  -0.508   0.089  0.00  0.00    +0.148 A 
ATOM      9  C   LIG    1        4.514  -1.291  -0.769  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1        5.895  -1.050  -0.785  0.00  0.00    +0.129 A 
ATOM     11  N   LIG    1        6.396  -0.088   0.013  0.00  0.00    -0.220 NA
ATOM     12  C   LIG    1        5.545   0.595   0.804  0.00  0.00    +0.225 A 
ATOM     13  C   LIG    1        3.613  -2.175  -1.424  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1        4.210   0.461   0.904  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        2.344  -1.907  -0.952  0.00  0.00    +0.091 A 
BRANCH  10  16
ATOM     16  N   LIG    1        6.787  -1.739  -1.593  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1        7.668  -1.244  -1.666  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1        6.399  -2.105  -2.450  0.00  0.00    +0.144 HD
ENDBRANCH  10  16
ENDBRANCH   4   7
BRANCH   3  19
ATOM     19  O   LIG    1        0.981   1.980   1.619  0.00  0.00    -0.384 OA
ATOM     20  H   LIG    1        1.870   2.026   2.024  0.00  0.00    +0.210 HD
ENDBRANCH   3  19
BRANCH   2  21
ATOM     21  O   LIG    1       -0.897   2.437  -0.138  0.00  0.00    -0.384 OA
ATOM     22  H   LIG    1       -0.628   2.746   0.754  0.00  0.00    +0.210 HD
ENDBRANCH   2  21
BRANCH   6  23
ATOM     23  C   LIG    1       -2.134  -0.594  -0.323  0.00  0.00    +0.070 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.431   0.121  -0.001  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1       -4.229  -0.223   1.114  0.00  0.00    -0.018 A 
ATOM     26  C   LIG    1       -5.426   0.482   1.345  0.00  0.00    +0.026 A 
ATOM     27  C   LIG    1       -5.812   1.522   0.503  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -7.276   2.373   0.812  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -5.023   1.875  -0.583  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -3.841   1.177  -0.834  0.00  0.00    +0.005 A 
BRANCH  25  31
ATOM     31  C   LIG    1       -3.878  -1.357   2.047  0.00  0.00    +0.191 C 
BRANCH  31  32
ATOM     32  O   LIG    1       -4.293  -2.602   1.503  0.00  0.00    -0.390 OA
ATOM     33  H   LIG    1       -4.805  -2.422   0.696  0.00  0.00    +0.210 HD
ENDBRANCH  31  32
ENDBRANCH  25  31
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 8