REMARK Name = BDB025850 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.599 0.499 -0.487 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.791 0.484 -0.228 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -1.562 1.635 -0.422 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -0.981 2.829 -0.888 0.00 0.00 +0.021 A ATOM 5 C LIG 1 0.399 2.818 -1.144 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.010 3.923 -1.601 0.00 0.00 -0.205 F ATOM 7 C LIG 1 1.181 1.680 -0.951 0.00 0.00 +0.064 A ENDROOT BRANCH 4 8 ATOM 8 C LIG 1 -1.798 4.037 -1.098 0.00 0.00 +0.003 A ATOM 9 C LIG 1 -3.021 3.995 -1.778 0.00 0.00 +0.123 A ATOM 10 N LIG 1 -3.826 5.063 -2.006 0.00 0.00 -0.221 NA ATOM 11 C LIG 1 -3.381 6.232 -1.526 0.00 0.00 +0.212 A ATOM 12 C LIG 1 -2.202 6.417 -0.841 0.00 0.00 +0.067 A ATOM 13 C LIG 1 -1.401 5.297 -0.626 0.00 0.00 +0.015 A BRANCH 11 14 ATOM 14 O LIG 1 -4.209 7.277 -1.769 0.00 0.00 -0.492 OA ATOM 15 H LIG 1 -4.918 6.812 -2.250 0.00 0.00 +0.294 HD ENDBRANCH 11 14 ENDBRANCH 4 8 BRANCH 1 18 ATOM 16 C LIG 1 3.519 -1.456 0.356 0.00 0.00 +0.075 C ATOM 17 C LIG 1 2.341 -0.567 0.821 0.00 0.00 +0.124 C ATOM 18 N LIG 1 1.335 -0.690 -0.265 0.00 0.00 -0.327 N ATOM 19 C LIG 1 2.013 -1.216 -1.474 0.00 0.00 +0.107 C ATOM 20 C LIG 1 3.506 -1.199 -1.152 0.00 0.00 +0.039 C BRANCH 16 22 ATOM 21 C LIG 1 4.782 -1.738 2.403 0.00 0.00 +0.104 C ATOM 22 N LIG 1 4.835 -1.311 1.002 0.00 0.00 -0.304 NA ATOM 23 C LIG 1 5.426 0.023 0.912 0.00 0.00 +0.104 C ENDBRANCH 16 22 ENDBRANCH 1 18 BRANCH 2 24 ATOM 24 N LIG 1 -1.308 -0.752 0.214 0.00 0.00 -0.280 N ATOM 25 H LIG 1 -0.579 -1.463 0.269 0.00 0.00 +0.155 HD ATOM 26 C LIG 1 -2.602 -1.065 0.540 0.00 0.00 +0.250 C ATOM 27 O LIG 1 -3.570 -0.316 0.557 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -2.759 -2.488 0.958 0.00 0.00 +0.065 A ATOM 29 C LIG 1 -2.572 -3.628 0.066 0.00 0.00 +0.073 A ATOM 30 C LIG 1 -2.757 -4.875 0.546 0.00 0.00 +0.083 A ATOM 31 C LIG 1 -3.143 -5.093 1.962 0.00 0.00 +0.249 A ATOM 32 O LIG 1 -3.295 -6.221 2.410 0.00 0.00 -0.268 OA ATOM 33 N LIG 1 -3.315 -3.958 2.713 0.00 0.00 -0.328 N ATOM 34 H LIG 1 -3.600 -4.104 3.676 0.00 0.00 +0.168 HD ATOM 35 C LIG 1 -3.138 -2.685 2.231 0.00 0.00 +0.099 A BRANCH 29 36 ATOM 36 C LIG 1 -2.219 -3.380 -1.368 0.00 0.00 +0.418 C ATOM 37 F LIG 1 -3.030 -2.471 -1.958 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -2.292 -4.510 -2.120 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -0.945 -2.928 -1.489 0.00 0.00 -0.166 F ENDBRANCH 29 36 ENDBRANCH 26 28 ENDBRANCH 2 24 TORSDOF 7