REMARK Name = BDB049522 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.138 0.333 0.666 0.00 0.00 +0.104 C ATOM 2 C LIG 1 -0.150 -0.692 1.266 0.00 0.00 +0.162 C ATOM 3 O LIG 1 0.578 -0.433 2.226 0.00 0.00 -0.295 OA ATOM 4 C LIG 1 -0.338 -2.130 0.732 0.00 0.00 +0.108 C ATOM 5 C LIG 1 -0.484 -2.122 -0.795 0.00 0.00 +0.171 C ATOM 6 C LIG 1 -0.472 -0.822 -1.509 0.00 0.00 +0.177 C ATOM 7 O LIG 1 -0.626 -3.162 -1.435 0.00 0.00 -0.295 OA ATOM 8 C LIG 1 -1.673 -2.697 1.405 0.00 0.00 +0.010 C ATOM 9 C LIG 1 -2.019 -4.207 1.012 0.00 0.00 +0.001 C ATOM 10 C LIG 1 -1.541 -2.752 3.006 0.00 0.00 +0.001 C ATOM 11 C LIG 1 -2.947 -1.726 1.077 0.00 0.00 +0.019 C ATOM 12 C LIG 1 -1.017 0.397 -0.847 0.00 0.00 +0.170 C ATOM 13 O LIG 1 -1.534 1.289 -1.522 0.00 0.00 -0.295 OA ATOM 14 C LIG 1 -2.405 -0.365 0.941 0.00 0.00 +0.010 C ENDROOT BRANCH 6 15 ATOM 15 C LIG 1 0.273 -0.665 -2.784 0.00 0.00 +0.186 C ATOM 16 O LIG 1 0.029 -1.303 -3.795 0.00 0.00 -0.290 OA BRANCH 15 17 ATOM 17 C LIG 1 1.311 0.372 -2.679 0.00 0.00 +0.023 A ATOM 18 C LIG 1 2.106 0.359 -1.527 0.00 0.00 +0.066 A ATOM 19 C LIG 1 2.781 1.489 -1.043 0.00 0.00 +0.226 A ATOM 20 O LIG 1 3.342 1.385 0.110 0.00 0.00 -0.284 OA ATOM 21 C LIG 1 2.751 2.669 -1.898 0.00 0.00 +0.225 A ATOM 22 O LIG 1 3.325 3.788 -1.640 0.00 0.00 -0.284 OA ATOM 23 C LIG 1 2.024 2.573 -3.126 0.00 0.00 +0.055 A ATOM 24 C LIG 1 1.299 1.457 -3.527 0.00 0.00 +0.015 A ENDBRANCH 15 17 ENDBRANCH 6 15 BRANCH 1 25 ATOM 25 C LIG 1 -1.013 1.637 1.304 0.00 0.00 +0.014 C BRANCH 25 26 ATOM 26 C LIG 1 -0.752 2.898 2.025 0.00 0.00 +0.037 C BRANCH 26 28 ATOM 27 C LIG 1 -2.143 1.792 4.117 0.00 0.00 +0.026 C ATOM 28 C LIG 1 -1.001 2.729 3.527 0.00 0.00 -0.048 C ATOM 29 C LIG 1 -0.514 3.734 4.649 0.00 0.00 -0.009 C ENDBRANCH 26 28 BRANCH 26 30 ATOM 30 C LIG 1 0.603 3.401 1.759 0.00 0.00 +0.025 C BRANCH 30 31 ATOM 31 C LIG 1 2.002 3.998 1.440 0.00 0.00 -0.035 C ATOM 32 C LIG 1 3.144 4.585 1.174 0.00 0.00 -0.048 C ATOM 33 C LIG 1 4.234 4.412 2.336 0.00 0.00 +0.026 C ATOM 34 C LIG 1 2.918 6.173 0.971 0.00 0.00 +0.026 C ENDBRANCH 30 31 ENDBRANCH 26 30 ENDBRANCH 25 26 ENDBRANCH 1 25 BRANCH 4 35 ATOM 35 C LIG 1 0.883 -2.928 1.063 0.00 0.00 +0.039 C BRANCH 35 36 ATOM 36 C LIG 1 2.187 -3.692 1.421 0.00 0.00 -0.034 C ATOM 37 C LIG 1 3.271 -4.349 1.718 0.00 0.00 -0.048 C ATOM 38 C LIG 1 3.609 -4.580 3.207 0.00 0.00 +0.026 C ATOM 39 C LIG 1 3.751 -5.430 0.722 0.00 0.00 +0.026 C ENDBRANCH 35 36 ENDBRANCH 4 35 BRANCH 11 40 ATOM 40 C LIG 1 -3.664 -2.083 -0.172 0.00 0.00 +0.021 C BRANCH 40 41 ATOM 41 C LIG 1 -4.410 -2.499 -1.468 0.00 0.00 -0.035 C ATOM 42 C LIG 1 -5.065 -2.865 -2.534 0.00 0.00 -0.048 C ATOM 43 C LIG 1 -5.148 -4.364 -2.878 0.00 0.00 +0.026 C ATOM 44 C LIG 1 -6.117 -1.913 -3.133 0.00 0.00 +0.026 C ENDBRANCH 40 41 ENDBRANCH 11 40 TORSDOF 11