REMARK Name = BDB058985 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.778 1.681 -0.471 0.00 0.00 -0.017 A ATOM 2 C LIG 1 -0.724 1.501 0.437 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.121 0.246 0.588 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -0.586 -0.844 -0.157 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -1.639 -0.687 -1.071 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -2.226 0.580 -1.218 0.00 0.00 +0.014 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 -1.046 3.519 -2.709 0.00 0.00 +0.044 C ATOM 8 C LIG 1 -2.080 3.880 -1.675 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -2.415 2.996 -0.622 0.00 0.00 -0.015 A ATOM 10 C LIG 1 -3.392 3.390 0.315 0.00 0.00 +0.011 A ATOM 11 C LIG 1 -4.029 4.627 0.211 0.00 0.00 +0.039 A ATOM 12 C LIG 1 -3.695 5.479 -0.830 0.00 0.00 +0.124 A ATOM 13 F LIG 1 -4.306 6.666 -0.934 0.00 0.00 -0.205 F ATOM 14 C LIG 1 -2.734 5.119 -1.769 0.00 0.00 +0.042 A ENDBRANCH 1 9 BRANCH 3 15 ATOM 15 C LIG 1 0.997 0.030 1.546 0.00 0.00 +0.244 C ATOM 16 N LIG 1 1.843 1.102 1.739 0.00 0.00 -0.307 N ATOM 17 H LIG 1 1.797 1.879 1.096 0.00 0.00 +0.149 HD ATOM 18 O LIG 1 1.147 -1.059 2.087 0.00 0.00 -0.270 OA BRANCH 16 19 ATOM 19 C LIG 1 3.055 0.972 2.518 0.00 0.00 +0.140 C BRANCH 19 20 ATOM 20 C LIG 1 4.253 0.806 1.616 0.00 0.00 -0.027 A ATOM 21 C LIG 1 4.471 -0.416 0.953 0.00 0.00 +0.051 A ATOM 22 C LIG 1 5.562 -0.578 0.097 0.00 0.00 +0.130 A ATOM 23 C LIG 1 6.445 0.490 -0.088 0.00 0.00 +0.046 A ATOM 24 C LIG 1 6.239 1.706 0.562 0.00 0.00 +0.004 A ATOM 25 C LIG 1 5.144 1.866 1.409 0.00 0.00 +0.005 A BRANCH 22 26 ATOM 26 O LIG 1 5.882 -1.703 -0.608 0.00 0.00 -0.406 OA BRANCH 26 27 ATOM 27 C LIG 1 4.983 -2.798 -0.546 0.00 0.00 +0.575 C ATOM 28 F LIG 1 5.454 -3.783 -1.345 0.00 0.00 -0.133 F ATOM 29 F LIG 1 4.897 -3.287 0.709 0.00 0.00 -0.133 F ATOM 30 F LIG 1 3.758 -2.450 -0.991 0.00 0.00 -0.133 F ENDBRANCH 26 27 ENDBRANCH 22 26 ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 3 15 BRANCH 5 31 ATOM 31 C LIG 1 -2.143 -1.871 -1.869 0.00 0.00 +0.159 C BRANCH 31 32 ATOM 32 N LIG 1 -2.856 -2.808 -1.028 0.00 0.00 -0.313 N ATOM 33 C LIG 1 -2.294 -3.996 -0.554 0.00 0.00 +0.204 A ATOM 34 N LIG 1 -1.131 -4.461 -0.841 0.00 0.00 -0.268 NA ATOM 35 H LIG 1 -0.992 -5.340 -0.343 0.00 0.00 +0.190 HD ATOM 36 N LIG 1 -3.276 -4.532 0.286 0.00 0.00 -0.320 N ATOM 37 C LIG 1 -3.095 -5.683 1.134 0.00 0.00 +0.152 C ATOM 38 C LIG 1 -4.361 -3.664 0.342 0.00 0.00 +0.106 A ATOM 39 C LIG 1 -4.109 -2.621 -0.461 0.00 0.00 +0.107 A ENDBRANCH 31 32 ENDBRANCH 5 31 TORSDOF 8