REMARK Name = BDB036519 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.163 1.347 1.055 0.00 0.00 +0.188 A ATOM 2 C LIG 1 0.181 1.579 0.662 0.00 0.00 +0.068 A ATOM 3 C LIG 1 0.541 0.413 0.014 0.00 0.00 +0.171 A ATOM 4 C LIG 1 1.790 0.174 -0.552 0.00 0.00 +0.076 A ATOM 5 C LIG 1 2.741 1.199 -0.452 0.00 0.00 +0.078 A ATOM 6 C LIG 1 2.403 2.413 0.208 0.00 0.00 +0.142 A ATOM 7 O LIG 1 -0.512 -0.445 0.014 0.00 0.00 -0.353 OA ATOM 8 C LIG 1 1.127 2.615 0.765 0.00 0.00 +0.062 A ATOM 9 N LIG 1 -1.585 0.141 0.663 0.00 0.00 -0.061 NA ENDROOT BRANCH 1 10 ATOM 10 N LIG 1 -1.957 2.270 1.719 0.00 0.00 -0.196 N ATOM 11 H LIG 1 -1.613 3.198 1.940 0.00 0.00 +0.175 HD BRANCH 10 12 ATOM 12 S LIG 1 -3.434 1.907 2.418 0.00 0.00 +0.077 S ATOM 13 O LIG 1 -3.913 3.170 2.945 0.00 0.00 -0.150 OA ATOM 14 O LIG 1 -3.230 0.768 3.287 0.00 0.00 -0.150 OA BRANCH 12 16 ATOM 15 C LIG 1 -5.323 0.402 1.049 0.00 0.00 +0.147 A ATOM 16 C LIG 1 -4.474 1.509 1.044 0.00 0.00 +0.153 A ATOM 17 C LIG 1 -4.426 2.346 -0.079 0.00 0.00 +0.071 A ATOM 18 C LIG 1 -5.218 2.059 -1.184 0.00 0.00 +0.128 A ATOM 19 F LIG 1 -5.154 2.868 -2.251 0.00 0.00 -0.205 F ATOM 20 C LIG 1 -6.079 0.960 -1.197 0.00 0.00 -0.012 A ATOM 21 C LIG 1 -6.936 0.691 -2.396 0.00 0.00 +0.047 C ATOM 22 C LIG 1 -6.136 0.141 -0.063 0.00 0.00 +0.053 A BRANCH 15 23 ATOM 23 O LIG 1 -5.478 -0.383 2.157 0.00 0.00 -0.490 OA BRANCH 23 25 ATOM 24 C LIG 1 -4.913 -2.401 3.304 0.00 0.00 +0.048 C ATOM 25 C LIG 1 -4.841 -1.656 1.984 0.00 0.00 +0.226 C ENDBRANCH 23 25 ENDBRANCH 15 23 ENDBRANCH 12 16 ENDBRANCH 10 12 ENDBRANCH 1 10 BRANCH 6 26 ATOM 26 O LIG 1 3.411 3.353 0.232 0.00 0.00 -0.493 OA ATOM 27 C LIG 1 3.201 4.522 1.014 0.00 0.00 +0.277 C ENDBRANCH 6 26 BRANCH 5 28 ATOM 28 N LIG 1 4.061 1.062 -0.948 0.00 0.00 -0.295 N ATOM 29 H LIG 1 4.493 1.976 -1.072 0.00 0.00 +0.154 HD BRANCH 28 30 ATOM 30 C LIG 1 4.815 0.023 -1.354 0.00 0.00 +0.145 A ATOM 31 N LIG 1 5.918 0.194 -2.088 0.00 0.00 -0.158 NA ATOM 32 N LIG 1 6.396 -1.044 -2.272 0.00 0.00 -0.280 N ATOM 33 H LIG 1 7.238 -1.153 -2.828 0.00 0.00 +0.189 HD ATOM 34 C LIG 1 5.668 -2.016 -1.645 0.00 0.00 +0.040 A ATOM 35 C LIG 1 4.635 -1.340 -1.027 0.00 0.00 +0.068 A BRANCH 34 36 ATOM 36 C LIG 1 6.044 -3.463 -1.696 0.00 0.00 +0.031 C ATOM 37 C LIG 1 4.944 -4.290 -2.362 0.00 0.00 +0.014 C ATOM 38 C LIG 1 6.351 -3.997 -0.296 0.00 0.00 +0.014 C ENDBRANCH 34 36 ENDBRANCH 28 30 ENDBRANCH 5 28 TORSDOF 9