REMARK Name = BDB025635 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.210 -0.926 0.423 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.743 0.392 0.212 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.629 0.654 0.113 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.578 -0.382 0.213 0.00 0.00 +0.022 A ATOM 5 C LIG 1 1.089 -1.681 0.424 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.941 -2.714 0.518 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.274 -1.957 0.531 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 3.018 -0.105 0.102 0.00 0.00 +0.021 A ATOM 9 C LIG 1 3.979 -0.696 0.896 0.00 0.00 +0.124 A ATOM 10 N LIG 1 5.308 -0.453 0.814 0.00 0.00 -0.222 NA ATOM 11 C LIG 1 5.729 0.424 -0.109 0.00 0.00 +0.218 A ATOM 12 N LIG 1 4.877 1.055 -0.932 0.00 0.00 -0.222 NA ATOM 13 C LIG 1 3.559 0.780 -0.810 0.00 0.00 +0.124 A BRANCH 11 14 ATOM 14 N LIG 1 7.075 0.712 -0.198 0.00 0.00 -0.295 N ATOM 15 C LIG 1 8.042 -0.232 0.370 0.00 0.00 +0.136 C ATOM 16 C LIG 1 9.052 -0.662 -0.707 0.00 0.00 +0.179 C ATOM 17 O LIG 1 9.778 0.430 -1.295 0.00 0.00 -0.377 OA ATOM 18 C LIG 1 9.041 1.663 -1.310 0.00 0.00 +0.179 C ATOM 19 C LIG 1 7.518 1.472 -1.369 0.00 0.00 +0.136 C ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 1 22 ATOM 20 C LIG 1 -4.319 -2.768 0.100 0.00 0.00 +0.075 C ATOM 21 C LIG 1 -3.150 -1.994 -0.561 0.00 0.00 +0.124 C ATOM 22 N LIG 1 -2.607 -1.135 0.520 0.00 0.00 -0.327 N ATOM 23 C LIG 1 -3.039 -1.697 1.818 0.00 0.00 +0.107 C ATOM 24 C LIG 1 -3.722 -3.020 1.488 0.00 0.00 +0.039 C BRANCH 20 26 ATOM 25 C LIG 1 -5.790 -4.709 0.128 0.00 0.00 +0.104 C ATOM 26 N LIG 1 -4.737 -3.998 -0.602 0.00 0.00 -0.304 NA ATOM 27 C LIG 1 -5.204 -3.705 -1.961 0.00 0.00 +0.104 C ENDBRANCH 20 26 ENDBRANCH 1 22 BRANCH 2 28 ATOM 28 N LIG 1 -1.746 1.380 0.128 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.674 0.981 0.262 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.601 2.719 -0.129 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.566 3.318 -0.391 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.902 3.448 -0.133 0.00 0.00 +0.065 A ATOM 33 C LIG 1 -3.757 3.607 1.039 0.00 0.00 +0.073 A ATOM 34 C LIG 1 -4.907 4.302 0.924 0.00 0.00 +0.083 A ATOM 35 C LIG 1 -5.307 4.898 -0.375 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -6.359 5.512 -0.492 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -4.426 4.712 -1.410 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -4.687 5.138 -2.293 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -3.249 4.014 -1.300 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -3.316 3.029 2.348 0.00 0.00 +0.418 C ATOM 41 F LIG 1 -2.040 3.356 2.662 0.00 0.00 -0.166 F ATOM 42 F LIG 1 -3.399 1.674 2.340 0.00 0.00 -0.166 F ATOM 43 F LIG 1 -4.089 3.449 3.384 0.00 0.00 -0.166 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 2 28 TORSDOF 7