REMARK  Name = BDB015591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.512  -0.935   1.058  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -2.203   0.206   1.038  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -1.542   1.264   0.561  0.00  0.00    +0.320 A 
ATOM      4  N   LIG    1       -0.268   1.261   0.146  0.00  0.00    -0.195 NA
ATOM      5  C   LIG    1        0.393   0.087   0.209  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.197  -1.059   0.692  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        1.804   0.086  -0.254  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        2.557   1.182  -0.041  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        3.883   1.260  -0.436  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        4.616   2.483  -0.146  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        4.537   0.212  -1.080  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        5.716   0.239  -1.423  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        3.704  -1.004  -1.356  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        4.371  -2.125  -2.087  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        2.422  -1.030  -0.956  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1       -2.278  -1.990   1.620  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1       -3.188  -1.574   1.840  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -2.523  -3.325   0.613  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1       -3.669  -3.030  -0.218  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1       -1.259  -3.729   0.034  0.00  0.00    -0.155 OA
BRANCH  18  22
ATOM     21  C   LIG    1       -4.250  -4.246   2.565  0.00  0.00    +0.030 C 
ATOM     22  C   LIG    1       -2.984  -4.578   1.802  0.00  0.00    +0.185 C 
ENDBRANCH  18  22
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  23
ATOM     23  O   LIG    1       -2.277   2.427   0.532  0.00  0.00    -0.460 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -1.624   3.554  -0.060  0.00  0.00    +0.171 C 
ATOM     25  C   LIG    1       -1.777   3.517  -1.579  0.00  0.00    +0.052 C 
ATOM     26  C   LIG    1       -2.310   4.799   0.501  0.00  0.00    +0.052 C 
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6