REMARK Name = BDB033596 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.338 0.449 -1.892 0.00 0.00 +0.192 A ATOM 2 C LIG 1 1.008 0.251 -1.485 0.00 0.00 +0.109 A ATOM 3 C LIG 1 1.380 1.480 -0.973 0.00 0.00 +0.173 A ATOM 4 C LIG 1 2.637 1.770 -0.451 0.00 0.00 +0.058 A ATOM 5 C LIG 1 3.578 0.725 -0.463 0.00 0.00 +0.016 A ATOM 6 C LIG 1 3.216 -0.537 -0.960 0.00 0.00 +0.171 A ATOM 7 F LIG 1 4.146 -1.504 -0.962 0.00 0.00 -0.201 F ATOM 8 O LIG 1 0.332 2.339 -1.058 0.00 0.00 -0.353 OA ATOM 9 C LIG 1 1.931 -0.812 -1.465 0.00 0.00 +0.176 A ATOM 10 N LIG 1 -0.749 1.692 -1.629 0.00 0.00 -0.060 NA ENDROOT BRANCH 1 11 ATOM 11 N LIG 1 -1.128 -0.537 -2.468 0.00 0.00 -0.196 N ATOM 12 H LIG 1 -0.772 -1.490 -2.502 0.00 0.00 +0.175 HD BRANCH 11 13 ATOM 13 S LIG 1 -2.801 -0.465 -2.536 0.00 0.00 +0.082 S ATOM 14 O LIG 1 -3.243 -1.800 -2.892 0.00 0.00 -0.150 OA ATOM 15 O LIG 1 -3.136 0.660 -3.385 0.00 0.00 -0.150 OA BRANCH 13 17 ATOM 16 C LIG 1 -4.259 0.794 -0.551 0.00 0.00 +0.154 A ATOM 17 C LIG 1 -3.318 -0.175 -0.883 0.00 0.00 +0.211 A ATOM 18 C LIG 1 -2.777 -0.931 0.146 0.00 0.00 +0.246 A ATOM 19 N LIG 1 -3.102 -0.749 1.451 0.00 0.00 -0.216 NA ATOM 20 C LIG 1 -4.020 0.195 1.754 0.00 0.00 +0.046 A ATOM 21 C LIG 1 -4.387 0.363 3.197 0.00 0.00 +0.066 C ATOM 22 C LIG 1 -4.628 0.974 0.782 0.00 0.00 +0.071 A BRANCH 16 24 ATOM 23 C LIG 1 -4.478 2.861 -1.556 0.00 0.00 +0.277 C ATOM 24 O LIG 1 -4.932 1.507 -1.504 0.00 0.00 -0.493 OA ENDBRANCH 16 24 BRANCH 18 25 ATOM 25 O LIG 1 -1.853 -1.912 -0.153 0.00 0.00 -0.478 OA ATOM 26 C LIG 1 -1.430 -2.675 0.974 0.00 0.00 +0.279 C ENDBRANCH 18 25 ENDBRANCH 13 17 ENDBRANCH 11 13 ENDBRANCH 1 11 BRANCH 5 27 ATOM 27 C LIG 1 4.961 0.947 0.097 0.00 0.00 +0.181 C BRANCH 27 28 ATOM 28 N LIG 1 4.971 0.782 1.542 0.00 0.00 -0.267 N ATOM 29 N LIG 1 4.736 1.843 2.343 0.00 0.00 -0.179 NA ATOM 30 C LIG 1 4.824 1.334 3.574 0.00 0.00 +0.134 A ATOM 31 C LIG 1 5.120 -0.041 3.567 0.00 0.00 +0.041 A ATOM 32 C LIG 1 5.214 -0.371 2.235 0.00 0.00 +0.108 A ENDBRANCH 27 28 ENDBRANCH 5 27 BRANCH 9 33 ATOM 33 O LIG 1 1.524 -2.023 -1.958 0.00 0.00 -0.430 OA BRANCH 33 34 ATOM 34 C LIG 1 2.071 -3.165 -1.307 0.00 0.00 +0.541 C ATOM 35 F LIG 1 1.285 -4.218 -1.644 0.00 0.00 -0.166 F ATOM 36 F LIG 1 1.956 -3.017 0.036 0.00 0.00 -0.166 F ENDBRANCH 33 34 ENDBRANCH 9 33 TORSDOF 9