REMARK Name = BDB034333 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.563 -0.933 -2.125 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.822 -0.792 -1.470 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.690 -1.907 -1.448 0.00 0.00 +0.073 A ATOM 4 C LIG 1 -3.914 -1.803 -0.798 0.00 0.00 +0.037 A ATOM 5 C LIG 1 -4.346 -0.626 -0.165 0.00 0.00 -0.016 A ATOM 6 C LIG 1 -3.494 0.481 -0.205 0.00 0.00 +0.009 A ATOM 7 N LIG 1 -2.392 -3.074 -2.036 0.00 0.00 -0.255 NA ATOM 8 C LIG 1 -1.220 -3.165 -2.690 0.00 0.00 +0.113 A ATOM 9 C LIG 1 -2.257 0.402 -0.848 0.00 0.00 +0.012 A ATOM 10 C LIG 1 -0.296 -2.140 -2.771 0.00 0.00 +0.043 A ENDROOT BRANCH 5 11 ATOM 11 C LIG 1 -5.653 -0.558 0.507 0.00 0.00 -0.018 A ATOM 12 C LIG 1 -5.762 -0.125 1.838 0.00 0.00 +0.009 A ATOM 13 C LIG 1 -7.005 -0.060 2.478 0.00 0.00 +0.013 A ATOM 14 C LIG 1 -8.175 -0.434 1.804 0.00 0.00 +0.055 A ATOM 15 C LIG 1 -8.076 -0.859 0.472 0.00 0.00 +0.013 A ATOM 16 C LIG 1 -6.831 -0.924 -0.163 0.00 0.00 +0.009 A BRANCH 14 17 ATOM 17 C LIG 1 -9.516 -0.342 2.488 0.00 0.00 +0.417 C ATOM 18 F LIG 1 -10.053 0.907 2.409 0.00 0.00 -0.166 F ATOM 19 F LIG 1 -10.449 -1.184 1.962 0.00 0.00 -0.166 F ATOM 20 F LIG 1 -9.457 -0.639 3.817 0.00 0.00 -0.166 F ENDBRANCH 14 17 ENDBRANCH 5 11 BRANCH 1 21 ATOM 21 N LIG 1 0.324 0.166 -2.178 0.00 0.00 -0.343 N ATOM 22 H LIG 1 0.362 0.596 -1.255 0.00 0.00 +0.146 HD BRANCH 21 23 ATOM 23 C LIG 1 1.666 0.004 -2.739 0.00 0.00 +0.103 C BRANCH 23 24 ATOM 24 C LIG 1 2.389 1.353 -2.809 0.00 0.00 +0.034 C BRANCH 24 25 ATOM 25 C LIG 1 2.778 1.947 -1.452 0.00 0.00 +0.083 C BRANCH 25 26 ATOM 26 N LIG 1 3.709 1.074 -0.740 0.00 0.00 -0.312 NA ATOM 27 H LIG 1 4.577 0.996 -1.272 0.00 0.00 +0.122 HD BRANCH 26 28 ATOM 28 C LIG 1 4.049 1.629 0.574 0.00 0.00 +0.120 C BRANCH 28 30 ATOM 29 C LIG 1 6.424 0.987 1.270 0.00 0.00 +0.125 A ATOM 30 C LIG 1 5.037 0.733 1.287 0.00 0.00 +0.011 A ATOM 31 C LIG 1 4.555 -0.408 1.954 0.00 0.00 +0.046 A ATOM 32 C LIG 1 5.436 -1.258 2.608 0.00 0.00 +0.124 A ATOM 33 F LIG 1 4.965 -2.337 3.245 0.00 0.00 -0.205 F ATOM 34 C LIG 1 6.799 -1.004 2.609 0.00 0.00 +0.042 A ATOM 35 C LIG 1 7.295 0.117 1.938 0.00 0.00 +0.049 A BRANCH 29 37 ATOM 36 C LIG 1 8.212 2.392 0.541 0.00 0.00 +0.277 C ATOM 37 O LIG 1 6.821 2.099 0.573 0.00 0.00 -0.495 OA ENDBRANCH 29 37 ENDBRANCH 28 30 ENDBRANCH 26 28 ENDBRANCH 25 26 ENDBRANCH 24 25 ENDBRANCH 23 24 ENDBRANCH 21 23 ENDBRANCH 1 21 TORSDOF 10