REMARK Name = BDB026023 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.571 0.150 -0.303 0.00 0.00 +0.016 A ATOM 2 C LIG 1 1.347 -1.182 0.076 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.374 -2.029 0.250 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.066 -1.688 0.301 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.050 -0.866 0.146 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.850 0.480 -0.235 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.441 0.974 -0.457 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.376 -1.308 0.387 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -2.769 -2.542 -0.344 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.116 -3.723 0.605 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.396 -4.983 -0.225 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -4.142 -3.393 1.630 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -5.492 -3.871 1.376 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.063 -1.984 2.103 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.155 -1.038 1.562 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -2.666 -1.349 1.844 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 19 ATOM 17 N LIG 1 5.186 0.717 -1.006 0.00 0.00 -0.292 N ATOM 18 C LIG 1 4.155 -0.212 -0.579 0.00 0.00 +0.143 C ATOM 19 C LIG 1 2.931 0.672 -0.546 0.00 0.00 -0.023 C ATOM 20 C LIG 1 3.288 1.953 -0.751 0.00 0.00 -0.002 C ATOM 21 C LIG 1 4.763 2.098 -0.956 0.00 0.00 +0.136 C BRANCH 17 25 ATOM 22 C LIG 1 9.162 -0.244 -0.548 0.00 0.00 +0.156 A ATOM 23 C LIG 1 8.149 -1.167 -0.445 0.00 0.00 +0.161 A ATOM 24 N LIG 1 6.836 -0.879 -0.586 0.00 0.00 -0.219 NA ATOM 25 C LIG 1 6.506 0.398 -0.840 0.00 0.00 +0.219 A ATOM 26 N LIG 1 7.425 1.372 -0.961 0.00 0.00 -0.219 NA ATOM 27 C LIG 1 8.726 1.031 -0.813 0.00 0.00 +0.161 A BRANCH 22 29 ATOM 28 C LIG 1 11.463 0.296 -0.507 0.00 0.00 +0.277 C ATOM 29 O LIG 1 10.437 -0.682 -0.381 0.00 0.00 -0.492 OA ENDBRANCH 22 29 ENDBRANCH 17 25 ENDBRANCH 1 19 BRANCH 6 30 ATOM 30 N LIG 1 -2.026 1.243 -0.381 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.860 0.687 -0.198 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -2.152 2.575 -0.680 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -1.264 3.394 -0.863 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -3.578 3.005 -0.736 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -4.158 3.910 0.250 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -5.456 4.257 0.141 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -6.287 3.737 -0.973 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -7.468 4.040 -1.079 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -5.648 2.899 -1.854 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -6.214 2.555 -2.622 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -4.328 2.540 -1.749 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.294 4.395 1.375 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -4.022 5.047 2.323 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -2.677 3.371 2.018 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.341 5.264 0.966 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 7