REMARK Name = BDB026309 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.214 2.090 -0.357 0.00 0.00 +0.038 A ATOM 2 C LIG 1 0.356 3.176 -0.582 0.00 0.00 +0.134 A ATOM 3 F LIG 1 0.835 4.430 -0.607 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -1.017 3.014 -0.773 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.587 1.740 -0.742 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.748 0.628 -0.512 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.625 0.807 -0.324 0.00 0.00 +0.038 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.971 1.514 -0.936 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -3.811 2.103 0.130 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -5.324 1.823 -0.121 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -5.665 0.366 0.212 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.789 2.080 -1.508 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -6.990 2.909 -1.538 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.725 2.651 -2.350 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -3.428 1.811 -2.316 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 18 ATOM 16 C LIG 1 4.558 1.317 0.848 0.00 0.00 +0.218 A ATOM 17 N LIG 1 3.236 1.293 0.628 0.00 0.00 -0.214 NA ATOM 18 C LIG 1 2.668 2.244 -0.147 0.00 0.00 +0.079 A ATOM 19 C LIG 1 3.425 3.249 -0.706 0.00 0.00 +0.048 A ATOM 20 C LIG 1 4.767 3.219 -0.422 0.00 0.00 +0.116 A ATOM 21 N LIG 1 5.347 2.276 0.340 0.00 0.00 -0.223 NA BRANCH 16 28 ATOM 22 C LIG 1 4.484 -2.072 -0.285 0.00 0.00 +0.039 C ATOM 23 C LIG 1 4.819 -2.109 1.203 0.00 0.00 +0.133 C ATOM 24 O LIG 1 6.233 -2.364 1.340 0.00 0.00 -0.371 OA ATOM 25 C LIG 1 6.968 -1.289 1.954 0.00 0.00 +0.133 C ATOM 26 C LIG 1 8.448 -1.556 1.717 0.00 0.00 +0.039 C ATOM 27 C LIG 1 6.554 0.083 1.383 0.00 0.00 +0.139 C ATOM 28 N LIG 1 5.128 0.328 1.633 0.00 0.00 -0.295 N ATOM 29 C LIG 1 4.318 -0.855 1.954 0.00 0.00 +0.139 C ENDBRANCH 16 28 ENDBRANCH 1 18 BRANCH 6 30 ATOM 30 N LIG 1 -1.395 -0.624 -0.475 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.402 -0.529 -0.607 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -0.836 -1.866 -0.319 0.00 0.00 +0.249 C ATOM 33 O LIG 1 0.346 -2.168 -0.244 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -1.831 -2.959 -0.282 0.00 0.00 +0.049 A ATOM 35 C LIG 1 -2.710 -3.122 0.803 0.00 0.00 +0.070 A ATOM 36 C LIG 1 -3.640 -4.175 0.751 0.00 0.00 +0.051 A ATOM 37 C LIG 1 -3.663 -5.040 -0.340 0.00 0.00 +0.124 A ATOM 38 F LIG 1 -4.554 -6.038 -0.366 0.00 0.00 -0.205 F ATOM 39 C LIG 1 -2.775 -4.888 -1.397 0.00 0.00 +0.039 A ATOM 40 C LIG 1 -1.850 -3.846 -1.369 0.00 0.00 +0.016 A BRANCH 35 41 ATOM 41 C LIG 1 -2.666 -2.206 1.996 0.00 0.00 +0.418 C ATOM 42 F LIG 1 -3.167 -0.972 1.718 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -3.408 -2.667 3.044 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.417 -2.014 2.493 0.00 0.00 -0.166 F ENDBRANCH 35 41 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6