REMARK Name = BDB047721 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.602 -0.151 -0.156 0.00 0.00 +0.082 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 0.816 0.825 0.721 0.00 0.00 +0.232 C BRANCH 2 3 ATOM 3 O LIG 1 -0.188 0.153 1.481 0.00 0.00 -0.492 OA BRANCH 3 7 ATOM 4 C LIG 1 -4.051 -0.573 0.053 0.00 0.00 -0.046 A ATOM 5 C LIG 1 -3.653 -0.902 1.353 0.00 0.00 +0.007 A ATOM 6 C LIG 1 -2.350 -0.636 1.783 0.00 0.00 +0.046 A ATOM 7 C LIG 1 -1.421 -0.042 0.927 0.00 0.00 +0.121 A ATOM 8 C LIG 1 -1.808 0.276 -0.373 0.00 0.00 +0.046 A ATOM 9 C LIG 1 -3.113 0.011 -0.806 0.00 0.00 +0.007 A BRANCH 4 10 ATOM 10 C LIG 1 -5.463 -0.856 -0.417 0.00 0.00 +0.053 C BRANCH 10 11 ATOM 11 C LIG 1 -6.506 0.271 -0.186 0.00 0.00 +0.068 C ATOM 12 C LIG 1 -6.652 0.595 1.313 0.00 0.00 +0.023 C BRANCH 11 14 ATOM 13 C LIG 1 -8.578 -1.317 -0.107 0.00 0.00 +0.005 C ATOM 14 C LIG 1 -7.888 -0.135 -0.777 0.00 0.00 +0.015 C ENDBRANCH 11 14 BRANCH 11 15 ATOM 15 C LIG 1 -6.086 1.546 -0.915 0.00 0.00 +0.311 C ATOM 16 O LIG 1 -6.005 2.670 -0.445 0.00 0.00 -0.250 OA BRANCH 15 17 ATOM 17 O LIG 1 -5.843 1.363 -2.230 0.00 0.00 -0.480 OA ATOM 18 H LIG 1 -5.629 2.266 -2.547 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 11 15 ENDBRANCH 10 11 ENDBRANCH 4 10 ENDBRANCH 3 7 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 2.331 -1.216 0.664 0.00 0.00 +0.232 C BRANCH 19 20 ATOM 20 O LIG 1 3.294 -0.632 1.544 0.00 0.00 -0.492 OA BRANCH 20 21 ATOM 21 C LIG 1 4.557 -0.396 1.085 0.00 0.00 +0.124 A ATOM 22 C LIG 1 5.020 -0.588 -0.211 0.00 0.00 +0.092 A ATOM 23 C LIG 1 6.352 -0.287 -0.516 0.00 0.00 +0.143 A ATOM 24 C LIG 1 7.252 0.204 0.432 0.00 0.00 +0.029 A ATOM 25 C LIG 1 8.632 0.489 0.013 0.00 0.00 +0.072 A ATOM 26 C LIG 1 8.967 0.266 -1.268 0.00 0.00 +0.105 A ATOM 27 C LIG 1 8.031 -0.247 -2.276 0.00 0.00 +0.338 A ATOM 28 O LIG 1 8.395 -0.428 -3.431 0.00 0.00 -0.245 OA ATOM 29 C LIG 1 6.772 0.395 1.731 0.00 0.00 +0.016 A ATOM 30 O LIG 1 6.741 -0.507 -1.853 0.00 0.00 -0.422 OA ATOM 31 C LIG 1 5.439 0.098 2.049 0.00 0.00 +0.046 A BRANCH 25 32 ATOM 32 C LIG 1 9.625 1.014 1.004 0.00 0.00 +0.418 C ATOM 33 F LIG 1 9.237 2.203 1.532 0.00 0.00 -0.166 F ATOM 34 F LIG 1 10.849 1.221 0.452 0.00 0.00 -0.166 F ATOM 35 F LIG 1 9.811 0.159 2.041 0.00 0.00 -0.166 F ENDBRANCH 25 32 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 12