REMARK Name = BDB047494 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.088 -0.513 1.857 0.00 0.00 +0.235 C ENDROOT BRANCH 1 2 ATOM 2 O LIG 1 -1.058 -1.222 2.334 0.00 0.00 -0.492 OA BRANCH 2 7 ATOM 3 C LIG 1 -6.122 -1.063 -0.181 0.00 0.00 +0.033 C ATOM 4 C LIG 1 -4.683 -0.989 0.295 0.00 0.00 -0.040 A ATOM 5 C LIG 1 -4.523 -1.729 1.474 0.00 0.00 -0.040 A ATOM 6 C LIG 1 -3.307 -1.784 2.139 0.00 0.00 +0.049 A ATOM 7 C LIG 1 -2.212 -1.098 1.608 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -2.363 -0.366 0.422 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -5.802 -2.386 1.880 0.00 0.00 +0.036 C ATOM 10 C LIG 1 -3.601 -0.306 -0.236 0.00 0.00 +0.008 A ATOM 11 C LIG 1 -6.559 -2.360 0.549 0.00 0.00 +0.013 C BRANCH 3 12 ATOM 12 C LIG 1 -6.330 -1.095 -1.709 0.00 0.00 +0.105 C BRANCH 12 14 ATOM 13 C LIG 1 -6.233 0.306 -3.837 0.00 0.00 +0.004 C ATOM 14 C LIG 1 -6.370 0.322 -2.319 0.00 0.00 +0.012 C ENDBRANCH 12 14 BRANCH 12 15 ATOM 15 C LIG 1 -7.645 -1.769 -2.039 0.00 0.00 +0.308 C ATOM 16 O LIG 1 -8.752 -1.441 -1.644 0.00 0.00 -0.251 OA BRANCH 15 17 ATOM 17 O LIG 1 -7.497 -2.824 -2.863 0.00 0.00 -0.480 OA ATOM 18 H LIG 1 -8.410 -3.154 -2.998 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 12 15 ENDBRANCH 3 12 ENDBRANCH 2 7 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 1.242 -0.780 2.819 0.00 0.00 +0.100 C BRANCH 19 20 ATOM 20 C LIG 1 2.455 0.000 2.472 0.00 0.00 +0.086 A ATOM 21 C LIG 1 3.073 1.019 3.165 0.00 0.00 +0.126 A ATOM 22 C LIG 1 2.817 1.711 4.440 0.00 0.00 +0.088 C ATOM 23 O LIG 1 4.160 1.421 2.440 0.00 0.00 -0.440 OA ATOM 24 C LIG 1 4.147 0.615 1.331 0.00 0.00 +0.228 A ATOM 25 N LIG 1 3.145 -0.244 1.306 0.00 0.00 -0.214 NA BRANCH 24 26 ATOM 26 C LIG 1 5.213 0.817 0.353 0.00 0.00 +0.041 A ATOM 27 C LIG 1 6.207 1.794 0.526 0.00 0.00 +0.062 A ATOM 28 C LIG 1 7.219 1.970 -0.426 0.00 0.00 +0.162 A ATOM 29 C LIG 1 7.244 1.159 -1.578 0.00 0.00 +0.162 A ATOM 30 C LIG 1 6.257 0.186 -1.755 0.00 0.00 +0.050 A ATOM 31 C LIG 1 5.253 0.018 -0.797 0.00 0.00 +0.017 A BRANCH 28 32 ATOM 32 O LIG 1 8.223 2.903 -0.327 0.00 0.00 -0.491 OA ATOM 33 C LIG 1 8.259 3.715 0.838 0.00 0.00 +0.277 C ENDBRANCH 28 32 BRANCH 29 34 ATOM 34 O LIG 1 8.267 1.396 -2.463 0.00 0.00 -0.491 OA ATOM 35 C LIG 1 8.339 0.578 -3.621 0.00 0.00 +0.277 C ENDBRANCH 29 34 ENDBRANCH 24 26 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 11