REMARK Name = BDB035697 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -1.164 0.565 0.720 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.196 1.139 1.551 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.281 1.644 2.655 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.087 1.049 0.841 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.335 1.475 1.258 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.420 1.271 0.395 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.204 0.648 -0.860 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.926 0.223 -1.270 0.00 0.00 +0.061 A ATOM 9 C LIG 1 0.872 0.435 -0.387 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.576 0.091 -0.527 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.793 -0.338 0.332 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -3.416 -0.174 0.075 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -2.552 0.431 1.003 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -3.109 0.887 2.202 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -4.474 0.744 2.469 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -5.313 0.135 1.542 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -5.712 -1.017 -0.680 0.00 0.00 +0.096 C BRANCH 17 20 ATOM 18 C LIG 1 -5.421 -3.638 1.048 0.00 0.00 +0.176 C ATOM 19 N LIG 1 -5.067 -3.455 -0.332 0.00 0.00 -0.232 N ATOM 20 C LIG 1 -5.167 -2.341 -1.123 0.00 0.00 +0.159 A ATOM 21 N LIG 1 -4.674 -2.650 -2.308 0.00 0.00 -0.113 NA ATOM 22 N LIG 1 -4.276 -3.960 -2.232 0.00 0.00 -0.023 NA ATOM 23 N LIG 1 -4.507 -4.457 -1.026 0.00 0.00 -0.044 NA ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.923 -0.075 -1.871 0.00 0.00 +0.055 C ATOM 25 C LIG 1 -6.810 1.155 -1.609 0.00 0.00 +0.166 C ATOM 26 O LIG 1 -7.948 0.500 -2.224 0.00 0.00 -0.379 OA ATOM 27 C LIG 1 -7.062 -0.479 -2.825 0.00 0.00 +0.166 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 28 ATOM 28 C LIG 1 1.707 -0.452 -2.597 0.00 0.00 +0.418 C ATOM 29 F LIG 1 1.368 -1.762 -2.459 0.00 0.00 -0.166 F ATOM 30 F LIG 1 2.793 -0.424 -3.416 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.692 0.122 -3.301 0.00 0.00 -0.166 F ENDBRANCH 8 28 BRANCH 6 32 ATOM 32 C LIG 1 4.814 1.703 0.796 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 5.691 0.537 0.908 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 5.325 -0.077 1.636 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 7.100 0.907 1.099 0.00 0.00 +0.017 C ATOM 36 C LIG 1 7.937 -0.383 0.843 0.00 0.00 +0.022 C ATOM 37 C LIG 1 8.871 0.477 -0.034 0.00 0.00 +0.004 C ATOM 38 C LIG 1 7.690 1.449 -0.234 0.00 0.00 +0.022 C ATOM 39 C LIG 1 7.405 1.638 2.393 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8