REMARK Name = BDB057158 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.229 -2.365 -0.891 0.00 0.00 -0.043 A ATOM 2 C LIG 1 -1.023 -1.128 -1.509 0.00 0.00 +0.004 A ATOM 3 C LIG 1 0.210 -0.476 -1.401 0.00 0.00 +0.009 A ATOM 4 C LIG 1 1.269 -1.041 -0.674 0.00 0.00 -0.018 A ATOM 5 C LIG 1 1.053 -2.284 -0.060 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -0.178 -2.939 -0.167 0.00 0.00 +0.004 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 2.563 -0.351 -0.559 0.00 0.00 -0.018 A ATOM 8 C LIG 1 3.139 -0.093 0.694 0.00 0.00 +0.012 A ATOM 9 C LIG 1 4.372 0.565 0.812 0.00 0.00 +0.046 A ATOM 10 C LIG 1 5.056 0.983 -0.326 0.00 0.00 +0.122 A ATOM 11 C LIG 1 4.494 0.727 -1.579 0.00 0.00 +0.046 A ATOM 12 C LIG 1 3.264 0.071 -1.696 0.00 0.00 +0.012 A BRANCH 10 13 ATOM 13 O LIG 1 6.256 1.626 -0.380 0.00 0.00 -0.477 OA BRANCH 13 14 ATOM 14 C LIG 1 6.934 2.058 0.799 0.00 0.00 +0.285 C BRANCH 14 15 ATOM 15 C LIG 1 6.137 2.962 1.744 0.00 0.00 +0.346 C ATOM 16 O LIG 1 5.979 2.811 2.946 0.00 0.00 -0.247 OA BRANCH 15 17 ATOM 17 O LIG 1 5.592 4.027 1.119 0.00 0.00 -0.478 OA ATOM 18 H LIG 1 5.089 4.497 1.817 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 14 15 BRANCH 14 19 ATOM 19 C LIG 1 7.630 0.902 1.545 0.00 0.00 +0.091 C BRANCH 19 20 ATOM 20 C LIG 1 8.842 0.379 0.804 0.00 0.00 -0.043 A ATOM 21 C LIG 1 10.127 0.829 1.137 0.00 0.00 +0.004 A ATOM 22 C LIG 1 11.242 0.356 0.443 0.00 0.00 +0.000 A ATOM 23 C LIG 1 11.084 -0.567 -0.590 0.00 0.00 +0.000 A ATOM 24 C LIG 1 9.810 -1.017 -0.930 0.00 0.00 +0.000 A ATOM 25 C LIG 1 8.693 -0.547 -0.238 0.00 0.00 +0.004 A ENDBRANCH 19 20 ENDBRANCH 14 19 ENDBRANCH 13 14 ENDBRANCH 10 13 ENDBRANCH 4 7 BRANCH 1 26 ATOM 26 C LIG 1 -2.564 -3.072 -0.997 0.00 0.00 +0.091 C BRANCH 26 27 ATOM 27 C LIG 1 -3.701 -2.462 -0.154 0.00 0.00 +0.285 C BRANCH 27 29 ATOM 28 O LIG 1 -3.257 -1.354 2.014 0.00 0.00 -0.247 OA ATOM 29 C LIG 1 -3.286 -2.353 1.314 0.00 0.00 +0.346 C BRANCH 29 30 ATOM 30 O LIG 1 -2.982 -3.553 1.862 0.00 0.00 -0.478 OA ATOM 31 H LIG 1 -2.744 -3.321 2.785 0.00 0.00 +0.295 HD ENDBRANCH 29 30 ENDBRANCH 27 29 BRANCH 27 32 ATOM 32 O LIG 1 -4.078 -1.221 -0.750 0.00 0.00 -0.477 OA BRANCH 32 33 ATOM 33 C LIG 1 -5.339 -0.740 -0.541 0.00 0.00 +0.122 A ATOM 34 C LIG 1 -5.668 0.373 -1.316 0.00 0.00 +0.046 A ATOM 35 C LIG 1 -6.927 0.973 -1.210 0.00 0.00 +0.012 A ATOM 36 C LIG 1 -7.889 0.475 -0.320 0.00 0.00 -0.018 A ATOM 37 C LIG 1 -7.542 -0.639 0.460 0.00 0.00 +0.012 A ATOM 38 C LIG 1 -6.280 -1.240 0.355 0.00 0.00 +0.046 A BRANCH 36 39 ATOM 39 C LIG 1 -9.214 1.104 -0.202 0.00 0.00 -0.018 A ATOM 40 C LIG 1 -10.390 0.348 -0.350 0.00 0.00 +0.008 A ATOM 41 C LIG 1 -11.649 0.945 -0.238 0.00 0.00 +0.001 A ATOM 42 C LIG 1 -11.753 2.308 0.024 0.00 0.00 +0.000 A ATOM 43 C LIG 1 -10.601 3.075 0.174 0.00 0.00 +0.001 A ATOM 44 C LIG 1 -9.343 2.478 0.061 0.00 0.00 +0.008 A ENDBRANCH 36 39 ENDBRANCH 32 33 ENDBRANCH 27 32 ENDBRANCH 26 27 ENDBRANCH 1 26 TORSDOF 14