REMARK Name = BDB035672 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.409 0.917 -0.613 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.647 1.778 -0.929 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.678 2.808 -1.577 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.853 1.225 -0.303 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.145 1.719 -0.334 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -4.137 1.006 0.351 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.790 -0.180 1.044 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.470 -0.671 1.064 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.508 0.061 0.374 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.045 -0.197 0.211 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.108 0.214 -0.961 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.737 0.125 -0.608 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.766 1.059 -1.014 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.192 2.119 -1.817 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.529 2.241 -2.195 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.469 1.303 -1.772 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 6.464 -2.523 -0.973 0.00 0.00 +0.049 C ATOM 18 C LIG 1 4.932 -2.341 -0.972 0.00 0.00 +0.033 C ATOM 19 C LIG 1 5.158 -0.878 -0.435 0.00 0.00 +0.057 C ATOM 20 C LIG 1 6.576 -0.986 -1.098 0.00 0.00 +0.033 C BRANCH 19 21 ATOM 21 C LIG 1 5.258 -0.804 1.152 0.00 0.00 +0.144 A ATOM 22 N LIG 1 5.587 0.279 1.921 0.00 0.00 -0.320 N ATOM 23 C LIG 1 5.914 1.609 1.490 0.00 0.00 +0.151 C ATOM 24 C LIG 1 5.530 -0.148 3.212 0.00 0.00 +0.224 A ATOM 25 N LIG 1 5.192 -1.415 3.241 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 5.017 -1.829 1.943 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 8.804 -3.435 -2.006 0.00 0.00 +0.084 C ATOM 28 S LIG 1 7.058 -3.389 -2.467 0.00 0.00 -0.161 S ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -2.106 -1.933 1.799 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -1.572 -2.872 0.972 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -3.154 -2.530 2.425 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -1.169 -1.710 2.761 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.571 1.493 0.355 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -6.435 0.528 -0.325 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 -6.130 0.445 -1.295 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.861 0.849 -0.177 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -8.332 0.507 1.265 0.00 0.00 +0.022 C ATOM 38 C LIG 1 -9.515 -0.254 0.631 0.00 0.00 +0.004 C ATOM 39 C LIG 1 -8.652 -0.413 -0.638 0.00 0.00 +0.022 C ATOM 40 C LIG 1 -8.297 2.159 -0.806 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8