REMARK Name = BDB048123 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.012 -1.569 -1.328 0.00 0.00 +0.237 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.431 -1.033 0.039 0.00 0.00 +0.100 C BRANCH 2 5 ATOM 3 C LIG 1 1.064 2.250 -0.520 0.00 0.00 +0.088 C ATOM 4 C LIG 1 2.245 1.397 -0.303 0.00 0.00 +0.126 A ATOM 5 C LIG 1 2.438 0.051 -0.073 0.00 0.00 +0.086 A ATOM 6 N LIG 1 3.785 -0.207 0.042 0.00 0.00 -0.214 NA ATOM 7 C LIG 1 4.357 0.973 -0.116 0.00 0.00 +0.228 A ATOM 8 O LIG 1 3.472 1.997 -0.333 0.00 0.00 -0.440 OA BRANCH 7 9 ATOM 9 C LIG 1 5.776 1.317 -0.092 0.00 0.00 +0.037 A ATOM 10 C LIG 1 6.729 0.309 0.126 0.00 0.00 +0.025 A ATOM 11 C LIG 1 8.105 0.597 0.152 0.00 0.00 +0.056 A ATOM 12 C LIG 1 8.523 1.923 -0.029 0.00 0.00 +0.012 A ATOM 13 C LIG 1 7.588 2.934 -0.247 0.00 0.00 +0.001 A ATOM 14 C LIG 1 6.225 2.632 -0.280 0.00 0.00 +0.013 A BRANCH 11 15 ATOM 15 C LIG 1 9.107 -0.501 0.411 0.00 0.00 +0.417 C ATOM 16 F LIG 1 10.350 -0.218 -0.072 0.00 0.00 -0.166 F ATOM 17 F LIG 1 9.272 -0.749 1.739 0.00 0.00 -0.166 F ATOM 18 F LIG 1 8.755 -1.690 -0.152 0.00 0.00 -0.166 F ENDBRANCH 11 15 ENDBRANCH 7 9 ENDBRANCH 2 5 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 O LIG 1 -0.070 -2.499 -1.212 0.00 0.00 -0.476 OA BRANCH 19 20 ATOM 20 C LIG 1 -1.320 -1.913 -1.176 0.00 0.00 +0.215 A ATOM 21 N LIG 1 -1.438 -0.570 -1.123 0.00 0.00 -0.221 NA ATOM 22 C LIG 1 -2.694 -0.074 -1.073 0.00 0.00 +0.118 A ATOM 23 C LIG 1 -3.848 -0.856 -1.060 0.00 0.00 -0.026 A ATOM 24 C LIG 1 -3.683 -2.241 -1.117 0.00 0.00 +0.010 A ATOM 25 C LIG 1 -2.401 -2.780 -1.172 0.00 0.00 +0.067 A BRANCH 23 26 ATOM 26 C LIG 1 -5.211 -0.223 -0.982 0.00 0.00 +0.083 C BRANCH 26 27 ATOM 27 C LIG 1 -5.815 -0.085 0.428 0.00 0.00 +0.169 C ATOM 28 O LIG 1 -7.113 0.547 0.276 0.00 0.00 -0.362 OA ATOM 29 C LIG 1 -8.046 -0.072 1.173 0.00 0.00 +0.161 C ATOM 30 C LIG 1 -7.268 -1.050 2.024 0.00 0.00 +0.031 C ATOM 31 C LIG 1 -6.120 -1.416 1.114 0.00 0.00 +0.049 C BRANCH 27 32 ATOM 32 C LIG 1 -4.928 0.857 1.266 0.00 0.00 +0.337 C ATOM 33 O LIG 1 -4.937 2.079 1.247 0.00 0.00 -0.248 OA BRANCH 32 34 ATOM 34 O LIG 1 -4.035 0.220 2.052 0.00 0.00 -0.479 OA ATOM 35 H LIG 1 -3.540 0.945 2.489 0.00 0.00 +0.295 HD ENDBRANCH 32 34 ENDBRANCH 27 32 ENDBRANCH 26 27 ENDBRANCH 23 26 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 10