REMARK Name = BDB034463 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.313 -1.310 -0.760 0.00 0.00 +0.034 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -0.836 -2.318 -0.634 0.00 0.00 +0.083 C BRANCH 2 3 ATOM 3 N LIG 1 -2.013 -1.874 0.107 0.00 0.00 -0.312 NA ATOM 4 H LIG 1 -1.762 -1.553 1.041 0.00 0.00 +0.122 HD BRANCH 3 5 ATOM 5 C LIG 1 -2.748 -0.804 -0.566 0.00 0.00 +0.120 C BRANCH 5 7 ATOM 6 C LIG 1 -3.798 0.652 1.242 0.00 0.00 +0.125 A ATOM 7 C LIG 1 -3.927 -0.364 0.277 0.00 0.00 +0.011 A ATOM 8 C LIG 1 -5.165 -1.022 0.115 0.00 0.00 +0.054 A ATOM 9 C LIG 1 -6.272 -0.656 0.878 0.00 0.00 +0.131 A ATOM 10 C LIG 1 -6.135 0.368 1.817 0.00 0.00 +0.049 A ATOM 11 C LIG 1 -4.910 1.016 2.002 0.00 0.00 +0.049 A BRANCH 6 13 ATOM 12 C LIG 1 -2.378 2.214 2.358 0.00 0.00 +0.277 C ATOM 13 O LIG 1 -2.552 1.212 1.363 0.00 0.00 -0.495 OA ENDBRANCH 6 13 BRANCH 9 14 ATOM 14 O LIG 1 -7.521 -1.202 0.816 0.00 0.00 -0.406 OA BRANCH 14 15 ATOM 15 C LIG 1 -7.743 -2.242 -0.121 0.00 0.00 +0.575 C ATOM 16 F LIG 1 -9.036 -2.627 -0.038 0.00 0.00 -0.133 F ATOM 17 F LIG 1 -7.514 -1.820 -1.383 0.00 0.00 -0.133 F ATOM 18 F LIG 1 -6.969 -3.314 0.146 0.00 0.00 -0.133 F ENDBRANCH 14 15 ENDBRANCH 9 14 ENDBRANCH 5 7 ENDBRANCH 3 5 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 0.875 -0.863 0.589 0.00 0.00 +0.103 C BRANCH 19 20 ATOM 20 N LIG 1 2.005 0.050 0.419 0.00 0.00 -0.343 N ATOM 21 H LIG 1 1.730 0.897 -0.070 0.00 0.00 +0.146 HD BRANCH 20 22 ATOM 22 C LIG 1 3.287 -0.386 0.039 0.00 0.00 +0.038 A ATOM 23 C LIG 1 4.296 0.564 -0.306 0.00 0.00 +0.021 A ATOM 24 C LIG 1 5.576 0.074 -0.656 0.00 0.00 +0.073 A ATOM 25 C LIG 1 6.573 0.967 -1.023 0.00 0.00 +0.040 A ATOM 26 C LIG 1 6.368 2.354 -1.052 0.00 0.00 +0.057 A ATOM 27 C LIG 1 5.119 2.849 -0.679 0.00 0.00 +0.013 A ATOM 28 N LIG 1 5.891 -1.227 -0.645 0.00 0.00 -0.255 NA ATOM 29 C LIG 1 4.942 -2.096 -0.253 0.00 0.00 +0.113 A ATOM 30 C LIG 1 4.099 1.968 -0.312 0.00 0.00 +0.012 A ATOM 31 C LIG 1 3.658 -1.730 0.103 0.00 0.00 +0.043 A BRANCH 26 32 ATOM 32 C LIG 1 7.492 3.281 -1.432 0.00 0.00 +0.417 C ATOM 33 F LIG 1 8.313 3.558 -0.383 0.00 0.00 -0.166 F ATOM 34 F LIG 1 8.292 2.778 -2.413 0.00 0.00 -0.166 F ATOM 35 F LIG 1 7.057 4.488 -1.894 0.00 0.00 -0.166 F ENDBRANCH 26 32 ENDBRANCH 20 22 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11