REMARK  Name = BDB004838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.997  -0.129   0.019  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.659   0.243   0.057  0.00  0.00    +0.059 A 
ATOM      3  C   LIG    1        0.630  -0.611  -0.412  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        0.948  -1.885  -0.915  0.00  0.00    +0.088 A 
ATOM      5  N   LIG    1       -0.030  -2.712  -1.347  0.00  0.00    -0.235 NA
ATOM      6  C   LIG    1       -1.292  -2.273  -1.276  0.00  0.00    +0.223 A 
ATOM      7  N   LIG    1       -1.682  -1.078  -0.843  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        2.310  -2.248  -0.947  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -0.734  -0.255  -0.389  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        3.321  -1.375  -0.488  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.791  -3.569  -1.463  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        3.987  -3.838  -1.520  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        1.869  -4.483  -1.875  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        2.183  -5.374  -2.230  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        0.875  -4.270  -1.847  0.00  0.00    +0.145 HD
ENDBRANCH   8  11
BRANCH   9  16
ATOM     16  N   LIG    1       -1.100   1.016   0.066  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -0.680   1.727  -0.523  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.487   1.357   0.433  0.00  0.00    +0.116 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.462   1.602  -0.717  0.00  0.00    -0.023 A 
ATOM     20  C   LIG    1       -4.758   2.074  -0.433  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1       -5.662   2.344  -1.458  0.00  0.00    +0.124 A 
ATOM     22  F   LIG    1       -6.890   2.783  -1.151  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -5.311   2.171  -2.788  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -4.031   1.727  -3.097  0.00  0.00    +0.003 A 
ATOM     25  C   LIG    1       -3.115   1.454  -2.072  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  26
ATOM     26  C   LIG    1       -2.991   0.585   1.715  0.00  0.00    +0.110 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -3.312  -0.860   1.675  0.00  0.00    -0.306 NA
ATOM     28  C   LIG    1       -4.497  -1.150   0.871  0.00  0.00    +0.104 C 
ATOM     29  C   LIG    1       -3.491  -1.379   3.032  0.00  0.00    +0.104 C 
ENDBRANCH  26  27
ENDBRANCH  18  26
ENDBRANCH  16  18
ENDBRANCH   9  16
BRANCH   1  30
ATOM     30  O   LIG    1        3.869   0.804   0.501  0.00  0.00    -0.490 OA
BRANCH  30  31
ATOM     31  C   LIG    1        5.256   0.459   0.509  0.00  0.00    +0.257 C 
BRANCH  31  32
ATOM     32  C   LIG    1        6.041   1.625   1.101  0.00  0.00    +0.200 C 
BRANCH  32  34
ATOM     33  C   LIG    1        8.206   2.362   1.663  0.00  0.00    +0.194 C 
ATOM     34  O   LIG    1        7.431   1.304   1.115  0.00  0.00    -0.380 OA
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH  30  31
ENDBRANCH   1  30
TORSDOF 10