REMARK Name = BDB030877 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.757 -1.751 0.084 0.00 0.00 +0.090 A ATOM 2 C LIG 1 -1.287 -2.953 -0.326 0.00 0.00 +0.099 A ATOM 3 C LIG 1 -2.650 -2.939 -0.507 0.00 0.00 +0.129 A ATOM 4 N LIG 1 -3.425 -1.853 -0.319 0.00 0.00 -0.222 NA ATOM 5 C LIG 1 -2.818 -0.731 0.077 0.00 0.00 +0.216 A ATOM 6 N LIG 1 -1.502 -0.637 0.269 0.00 0.00 -0.214 NA ENDROOT BRANCH 1 11 ATOM 7 C LIG 1 3.801 0.946 -1.002 0.00 0.00 +0.080 A ATOM 8 C LIG 1 3.950 -0.077 -0.046 0.00 0.00 +0.165 A ATOM 9 C LIG 1 2.808 -0.806 0.324 0.00 0.00 +0.091 A ATOM 10 C LIG 1 1.561 -0.622 -0.268 0.00 0.00 +0.013 A ATOM 11 C LIG 1 0.661 -1.554 0.338 0.00 0.00 +0.026 A ATOM 12 C LIG 1 1.371 -2.243 1.300 0.00 0.00 +0.093 A ATOM 13 C LIG 1 1.442 0.349 -1.280 0.00 0.00 +0.013 A ATOM 14 N LIG 1 2.666 -1.797 1.269 0.00 0.00 -0.357 N ATOM 15 H LIG 1 3.419 -2.111 1.868 0.00 0.00 +0.165 HD ATOM 16 C LIG 1 2.562 1.115 -1.635 0.00 0.00 +0.028 A BRANCH 7 18 ATOM 17 C LIG 1 5.935 2.278 -0.775 0.00 0.00 +0.404 C ATOM 18 N LIG 1 4.827 1.812 -1.433 0.00 0.00 -0.248 N ATOM 19 H LIG 1 4.699 2.286 -2.316 0.00 0.00 +0.158 HD ATOM 20 O LIG 1 6.776 2.942 -1.375 0.00 0.00 -0.226 OA BRANCH 17 22 ATOM 21 C LIG 1 7.109 2.555 1.228 0.00 0.00 +0.282 C ATOM 22 O LIG 1 5.967 2.031 0.555 0.00 0.00 -0.453 OA ENDBRANCH 17 22 ENDBRANCH 7 18 BRANCH 8 23 ATOM 23 O LIG 1 5.151 -0.435 0.509 0.00 0.00 -0.491 OA ATOM 24 C LIG 1 5.891 -1.250 -0.400 0.00 0.00 +0.277 C ENDBRANCH 8 23 ENDBRANCH 1 11 BRANCH 2 25 ATOM 25 C LIG 1 -0.496 -4.183 -0.569 0.00 0.00 +0.421 C ATOM 26 F LIG 1 -0.064 -4.778 0.577 0.00 0.00 -0.166 F ATOM 27 F LIG 1 0.608 -3.987 -1.341 0.00 0.00 -0.166 F ATOM 28 F LIG 1 -1.212 -5.147 -1.220 0.00 0.00 -0.166 F ENDBRANCH 2 25 BRANCH 5 29 ATOM 29 N LIG 1 -3.538 0.430 0.308 0.00 0.00 -0.309 N ATOM 30 H LIG 1 -2.847 1.174 0.301 0.00 0.00 +0.149 HD BRANCH 29 31 ATOM 31 C LIG 1 -4.706 0.646 -0.553 0.00 0.00 +0.087 C ATOM 32 C LIG 1 -4.899 2.169 -0.774 0.00 0.00 +0.103 C ATOM 33 N LIG 1 -5.208 2.890 0.473 0.00 0.00 -0.314 NA ATOM 34 H LIG 1 -4.460 2.685 1.140 0.00 0.00 +0.122 HD ATOM 35 C LIG 1 -6.457 2.378 1.049 0.00 0.00 +0.081 C ATOM 36 C LIG 1 -6.379 0.881 1.347 0.00 0.00 +0.017 C ATOM 37 C LIG 1 -5.971 0.076 0.110 0.00 0.00 +0.025 C ENDBRANCH 29 31 ENDBRANCH 5 29 TORSDOF 7