REMARK Name = BDB035805 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.690 1.065 1.617 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.038 0.566 0.485 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.453 -0.107 -0.441 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.366 0.988 0.580 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -2.397 0.754 -0.311 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.662 1.274 -0.004 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.843 2.000 1.197 0.00 0.00 +0.014 A ATOM 8 C LIG 1 -2.782 2.224 2.099 0.00 0.00 +0.023 A ATOM 9 C LIG 1 -1.537 1.703 1.761 0.00 0.00 -0.009 A ATOM 10 C LIG 1 -0.241 1.749 2.504 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.341 0.213 1.300 0.00 0.00 -0.035 A ATOM 12 C LIG 1 2.981 0.405 0.995 0.00 0.00 +0.028 A ATOM 13 C LIG 1 2.068 0.917 1.931 0.00 0.00 +0.037 A ATOM 14 C LIG 1 2.558 1.277 3.193 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.903 1.093 3.521 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.783 0.556 2.586 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 5.348 -0.377 0.317 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 3.308 -2.859 0.430 0.00 0.00 +0.151 C ATOM 19 N LIG 1 4.738 -2.877 0.582 0.00 0.00 -0.320 N ATOM 20 C LIG 1 5.633 -1.835 0.547 0.00 0.00 +0.141 A ATOM 21 N LIG 1 6.845 -2.329 0.737 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 6.745 -3.687 0.900 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 5.477 -4.001 0.806 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 5.018 -0.089 -1.152 0.00 0.00 +0.009 C ATOM 25 C LIG 1 5.049 1.399 -1.603 0.00 0.00 +0.041 C ATOM 26 C LIG 1 5.651 0.914 -2.941 0.00 0.00 +0.167 C ATOM 27 F LIG 1 4.749 0.642 -3.914 0.00 0.00 -0.245 F ATOM 28 C LIG 1 6.176 -0.316 -2.167 0.00 0.00 +0.041 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -3.006 3.032 3.347 0.00 0.00 +0.372 C ATOM 30 F LIG 1 -4.212 2.783 3.928 0.00 0.00 -0.204 F ATOM 31 F LIG 1 -2.075 2.796 4.314 0.00 0.00 -0.204 F ENDBRANCH 8 29 BRANCH 6 32 ATOM 32 C LIG 1 -4.828 1.020 -0.934 0.00 0.00 +0.116 C BRANCH 32 33 ATOM 33 N LIG 1 -5.351 -0.328 -0.726 0.00 0.00 -0.307 NA ATOM 34 H LIG 1 -5.667 -0.418 0.239 0.00 0.00 +0.123 HD BRANCH 33 35 ATOM 35 C LIG 1 -6.362 -0.702 -1.724 0.00 0.00 +0.017 C ATOM 36 C LIG 1 -6.578 -2.239 -1.586 0.00 0.00 +0.022 C ATOM 37 C LIG 1 -6.477 -2.325 -3.124 0.00 0.00 +0.004 C ATOM 38 C LIG 1 -5.671 -1.010 -3.083 0.00 0.00 +0.022 C ATOM 39 C LIG 1 -7.625 0.139 -1.710 0.00 0.00 +0.027 C ENDBRANCH 33 35 ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 8