REMARK Name = BDB047487 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.757 -1.599 -0.590 0.00 0.00 +0.235 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -0.477 -2.297 -0.405 0.00 0.00 -0.492 OA BRANCH 2 7 ATOM 3 C LIG 1 -5.307 0.640 -0.270 0.00 0.00 +0.033 C ATOM 4 C LIG 1 -4.104 -0.278 -0.248 0.00 0.00 -0.040 A ATOM 5 C LIG 1 -2.927 0.462 -0.429 0.00 0.00 -0.040 A ATOM 6 C LIG 1 -1.683 -0.151 -0.495 0.00 0.00 +0.049 A ATOM 7 C LIG 1 -1.618 -1.540 -0.369 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -2.800 -2.281 -0.194 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -3.229 1.921 -0.576 0.00 0.00 +0.036 C ATOM 10 C LIG 1 -4.050 -1.657 -0.142 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -4.624 1.987 0.061 0.00 0.00 +0.013 C BRANCH 3 12 ATOM 12 C LIG 1 -6.497 0.227 0.628 0.00 0.00 +0.105 C BRANCH 12 14 ATOM 13 C LIG 1 -6.657 1.565 2.857 0.00 0.00 +0.004 C ATOM 14 C LIG 1 -6.249 0.277 2.149 0.00 0.00 +0.012 C ENDBRANCH 12 14 BRANCH 12 15 ATOM 15 C LIG 1 -7.752 0.984 0.222 0.00 0.00 +0.308 C ATOM 16 O LIG 1 -7.769 2.035 -0.399 0.00 0.00 -0.251 OA BRANCH 15 17 ATOM 17 O LIG 1 -8.891 0.372 0.624 0.00 0.00 -0.480 OA ATOM 18 H LIG 1 -8.748 -0.457 1.119 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 3 12 ENDBRANCH 2 7 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 1.885 -2.627 -0.593 0.00 0.00 +0.100 C BRANCH 19 20 ATOM 20 C LIG 1 3.204 -2.012 -0.882 0.00 0.00 +0.086 A ATOM 21 C LIG 1 4.007 -2.137 -1.995 0.00 0.00 +0.126 A ATOM 22 C LIG 1 3.913 -2.874 -3.266 0.00 0.00 +0.088 C ATOM 23 O LIG 1 5.125 -1.377 -1.792 0.00 0.00 -0.440 OA ATOM 24 C LIG 1 4.940 -0.822 -0.552 0.00 0.00 +0.228 A ATOM 25 N LIG 1 3.805 -1.170 0.026 0.00 0.00 -0.214 NA BRANCH 24 26 ATOM 26 C LIG 1 5.996 0.057 -0.057 0.00 0.00 +0.037 A ATOM 27 C LIG 1 7.144 0.340 -0.812 0.00 0.00 +0.014 A ATOM 28 C LIG 1 8.140 1.187 -0.312 0.00 0.00 +0.013 A ATOM 29 C LIG 1 8.014 1.765 0.959 0.00 0.00 +0.055 A ATOM 30 C LIG 1 6.864 1.491 1.713 0.00 0.00 +0.013 A ATOM 31 C LIG 1 5.870 0.645 1.210 0.00 0.00 +0.014 A BRANCH 29 32 ATOM 32 C LIG 1 9.077 2.695 1.492 0.00 0.00 +0.417 C ATOM 33 F LIG 1 10.313 2.447 0.977 0.00 0.00 -0.166 F ATOM 34 F LIG 1 8.810 4.000 1.212 0.00 0.00 -0.166 F ATOM 35 F LIG 1 9.218 2.623 2.846 0.00 0.00 -0.166 F ENDBRANCH 29 32 ENDBRANCH 24 26 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 10