REMARK Name = BDB037885 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 2.919 -1.071 -0.321 0.00 0.00 +0.074 A ATOM 2 N LIG 1 2.229 -2.089 0.244 0.00 0.00 -0.253 NA ATOM 3 C LIG 1 0.876 -2.028 0.215 0.00 0.00 +0.134 A ATOM 4 C LIG 1 0.124 -0.996 -0.352 0.00 0.00 +0.053 A ATOM 5 C LIG 1 0.850 0.060 -0.923 0.00 0.00 -0.003 A ATOM 6 C LIG 1 2.258 0.012 -0.899 0.00 0.00 +0.035 A ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 7.222 -1.450 -0.087 0.00 0.00 +0.158 A ATOM 8 C LIG 1 6.387 -1.980 0.899 0.00 0.00 +0.166 A ATOM 9 F LIG 1 6.914 -2.623 1.952 0.00 0.00 -0.202 F ATOM 10 C LIG 1 4.999 -1.858 0.823 0.00 0.00 +0.055 A ATOM 11 C LIG 1 4.388 -1.191 -0.253 0.00 0.00 +0.038 A ATOM 12 C LIG 1 5.244 -0.673 -1.239 0.00 0.00 +0.136 A ATOM 13 F LIG 1 4.740 -0.047 -2.315 0.00 0.00 -0.205 F ATOM 14 C LIG 1 6.636 -0.793 -1.165 0.00 0.00 +0.087 A BRANCH 7 16 ATOM 15 C LIG 1 9.440 -1.103 -0.883 0.00 0.00 +0.277 C ATOM 16 O LIG 1 8.564 -1.634 0.102 0.00 0.00 -0.492 OA ENDBRANCH 7 16 ENDBRANCH 1 11 BRANCH 4 17 ATOM 17 N LIG 1 -1.286 -0.984 -0.373 0.00 0.00 -0.327 N ATOM 18 C LIG 1 -1.854 -0.699 0.973 0.00 0.00 +0.129 C ATOM 19 C LIG 1 -3.425 -0.867 1.013 0.00 0.00 +0.064 C ATOM 20 C LIG 1 -3.992 -0.862 -0.421 0.00 0.00 +0.028 C ATOM 21 C LIG 1 -3.326 -1.874 -1.361 0.00 0.00 +0.021 C ATOM 22 C LIG 1 -1.862 -2.158 -1.031 0.00 0.00 +0.105 C BRANCH 19 23 ATOM 23 N LIG 1 -3.776 -2.174 1.663 0.00 0.00 -0.321 NA ATOM 24 H LIG 1 -4.706 -2.473 1.364 0.00 0.00 +0.119 HD ATOM 25 H LIG 1 -3.144 -2.903 1.327 0.00 0.00 +0.119 HD ENDBRANCH 19 23 BRANCH 19 26 ATOM 26 C LIG 1 -3.998 0.271 1.924 0.00 0.00 +0.202 C BRANCH 26 27 ATOM 27 C LIG 1 -5.524 0.416 1.924 0.00 0.00 +0.371 C ATOM 28 F LIG 1 -5.992 0.683 0.679 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -5.888 1.482 2.687 0.00 0.00 -0.206 F ENDBRANCH 26 27 BRANCH 26 30 ATOM 30 O LIG 1 -3.540 -0.003 3.273 0.00 0.00 -0.384 OA ATOM 31 H LIG 1 -3.606 -0.977 3.368 0.00 0.00 +0.210 HD ENDBRANCH 26 30 ENDBRANCH 19 26 ENDBRANCH 4 17 BRANCH 5 32 ATOM 32 C LIG 1 0.165 1.245 -1.564 0.00 0.00 +0.160 C BRANCH 32 33 ATOM 33 N LIG 1 -0.344 2.204 -0.597 0.00 0.00 -0.326 N ATOM 34 C LIG 1 -1.593 2.783 -0.597 0.00 0.00 +0.069 A ATOM 35 C LIG 1 -1.577 3.622 0.517 0.00 0.00 +0.089 A ATOM 36 C LIG 1 -2.726 4.356 0.846 0.00 0.00 +0.030 A ATOM 37 C LIG 1 -3.862 4.230 0.038 0.00 0.00 +0.002 A ATOM 38 C LIG 1 -3.852 3.398 -1.081 0.00 0.00 +0.002 A ATOM 39 N LIG 1 -0.359 3.586 1.145 0.00 0.00 -0.236 NA ATOM 40 C LIG 1 -2.714 2.660 -1.427 0.00 0.00 +0.028 A ATOM 41 C LIG 1 0.362 2.740 0.447 0.00 0.00 +0.200 A ENDBRANCH 32 33 ENDBRANCH 5 32 TORSDOF 9