REMARK Name = BDB047247 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.867 -1.098 -1.114 0.00 0.00 -0.014 A ATOM 2 C LIG 1 0.383 -0.830 0.204 0.00 0.00 +0.007 A ATOM 3 C LIG 1 -0.951 -0.430 0.100 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.655 0.012 1.238 0.00 0.00 +0.030 A ATOM 5 C LIG 1 -1.021 -0.030 2.484 0.00 0.00 +0.048 A ATOM 6 C LIG 1 0.290 -0.473 2.619 0.00 0.00 +0.131 A ATOM 7 N LIG 1 -1.326 -0.528 -1.245 0.00 0.00 -0.280 N ATOM 8 C LIG 1 -2.626 -0.306 -1.777 0.00 0.00 +0.263 C ATOM 9 O LIG 1 -2.720 0.041 -2.954 0.00 0.00 -0.267 OA ATOM 10 C LIG 1 0.996 -0.867 1.482 0.00 0.00 +0.056 A ATOM 11 C LIG 1 -0.192 -0.878 -1.986 0.00 0.00 +0.028 A ATOM 12 C LIG 1 -0.226 -1.020 -3.475 0.00 0.00 +0.064 C ENDROOT BRANCH 8 13 ATOM 13 C LIG 1 -3.895 -0.489 -1.034 0.00 0.00 +0.040 A ATOM 14 C LIG 1 -4.095 -1.610 -0.224 0.00 0.00 +0.017 A ATOM 15 C LIG 1 -5.312 -1.770 0.443 0.00 0.00 +0.046 A ATOM 16 C LIG 1 -6.340 -0.833 0.291 0.00 0.00 +0.120 A ATOM 17 C LIG 1 -6.144 0.271 -0.540 0.00 0.00 +0.046 A ATOM 18 C LIG 1 -4.926 0.440 -1.209 0.00 0.00 +0.017 A BRANCH 16 19 ATOM 19 O LIG 1 -7.475 -1.114 1.000 0.00 0.00 -0.495 OA ATOM 20 C LIG 1 -8.571 -0.223 0.841 0.00 0.00 +0.277 C ENDBRANCH 16 19 ENDBRANCH 8 13 BRANCH 1 21 ATOM 21 C LIG 1 2.257 -1.549 -1.467 0.00 0.00 +0.072 C BRANCH 21 24 ATOM 22 C LIG 1 5.049 0.812 -0.347 0.00 0.00 +0.122 A ATOM 23 C LIG 1 4.182 -0.284 -0.430 0.00 0.00 +0.049 A ATOM 24 C LIG 1 3.158 -0.339 -1.390 0.00 0.00 -0.040 A ATOM 25 C LIG 1 3.030 0.731 -2.286 0.00 0.00 +0.004 A ATOM 26 C LIG 1 3.882 1.833 -2.201 0.00 0.00 +0.004 A ATOM 27 C LIG 1 4.887 1.876 -1.232 0.00 0.00 +0.046 A BRANCH 22 28 ATOM 28 O LIG 1 5.987 0.716 0.642 0.00 0.00 -0.480 OA BRANCH 28 29 ATOM 29 C LIG 1 7.040 1.682 0.679 0.00 0.00 +0.317 C BRANCH 29 31 ATOM 30 C LIG 1 6.313 3.853 2.054 0.00 0.00 +0.007 C ATOM 31 C LIG 1 6.642 2.878 1.434 0.00 0.00 -0.065 C ENDBRANCH 29 31 ENDBRANCH 28 29 ENDBRANCH 22 28 ENDBRANCH 21 24 ENDBRANCH 1 21 BRANCH 6 32 ATOM 32 O LIG 1 0.761 -0.457 3.901 0.00 0.00 -0.406 OA BRANCH 32 33 ATOM 33 C LIG 1 2.101 -0.865 4.120 0.00 0.00 +0.575 C ATOM 34 F LIG 1 2.364 -0.787 5.444 0.00 0.00 -0.133 F ATOM 35 F LIG 1 2.291 -2.145 3.733 0.00 0.00 -0.133 F ATOM 36 F LIG 1 2.970 -0.061 3.472 0.00 0.00 -0.133 F ENDBRANCH 32 33 ENDBRANCH 6 32 TORSDOF 9