REMARK Name = BDB024017 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.185 -1.097 -0.437 0.00 0.00 -0.041 A ATOM 2 C LIG 1 -1.069 -0.699 0.316 0.00 0.00 +0.018 A ATOM 3 C LIG 1 0.199 -0.579 -0.272 0.00 0.00 +0.047 A ATOM 4 C LIG 1 0.324 -0.856 -1.629 0.00 0.00 +0.134 A ATOM 5 F LIG 1 1.516 -0.742 -2.226 0.00 0.00 -0.205 F ATOM 6 C LIG 1 -0.770 -1.248 -2.396 0.00 0.00 +0.039 A ATOM 7 C LIG 1 -2.025 -1.367 -1.802 0.00 0.00 +0.007 A ENDROOT BRANCH 3 8 ATOM 8 P LIG 1 1.578 -0.070 0.702 0.00 0.00 +0.122 P ATOM 9 C LIG 1 2.922 -1.252 0.540 0.00 0.00 +0.093 C ATOM 10 C LIG 1 4.223 -0.608 0.981 0.00 0.00 +0.114 C ATOM 11 N LIG 1 4.583 0.548 0.146 0.00 0.00 -0.314 N ATOM 12 C LIG 1 3.578 1.165 -0.728 0.00 0.00 +0.114 C ATOM 13 C LIG 1 2.299 1.438 0.043 0.00 0.00 +0.093 C ATOM 14 O LIG 1 1.258 0.114 2.170 0.00 0.00 -0.316 OA BRANCH 11 15 ATOM 15 C LIG 1 5.884 0.548 -0.379 0.00 0.00 +0.121 A ATOM 16 N LIG 1 6.069 0.849 -1.683 0.00 0.00 -0.240 NA ATOM 17 C LIG 1 7.330 0.857 -2.174 0.00 0.00 +0.113 A ATOM 18 C LIG 1 8.454 0.583 -1.419 0.00 0.00 +0.020 A ATOM 19 C LIG 1 8.271 0.290 -0.078 0.00 0.00 +0.005 A ATOM 20 C LIG 1 6.979 0.277 0.446 0.00 0.00 +0.043 A ENDBRANCH 11 15 ENDBRANCH 3 8 BRANCH 1 21 ATOM 21 C LIG 1 -3.547 -1.198 0.213 0.00 0.00 +0.093 C BRANCH 21 29 ATOM 22 O LIG 1 -6.637 3.392 -0.176 0.00 0.00 -0.266 OA ATOM 23 C LIG 1 -5.991 2.356 -0.064 0.00 0.00 +0.272 A ATOM 24 C LIG 1 -6.481 1.230 0.746 0.00 0.00 +0.050 A ATOM 25 C LIG 1 -5.708 0.074 0.842 0.00 0.00 +0.011 A ATOM 26 C LIG 1 -6.178 -1.005 1.601 0.00 0.00 +0.010 A ATOM 27 C LIG 1 -7.409 -0.915 2.259 0.00 0.00 +0.001 A ATOM 28 C LIG 1 -8.175 0.246 2.162 0.00 0.00 +0.001 A ATOM 29 C LIG 1 -4.410 0.056 0.115 0.00 0.00 +0.074 A ATOM 30 N LIG 1 -4.001 1.060 -0.605 0.00 0.00 -0.175 NA ATOM 31 C LIG 1 -7.713 1.321 1.404 0.00 0.00 +0.014 A ATOM 32 N LIG 1 -4.780 2.170 -0.683 0.00 0.00 -0.242 N ATOM 33 H LIG 1 -4.421 2.937 -1.244 0.00 0.00 +0.192 HD ENDBRANCH 21 29 ENDBRANCH 1 21 TORSDOF 4