REMARK Name = BDB050380 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.052 -1.297 -1.074 0.00 0.00 -0.491 OA ENDROOT BRANCH 1 10 ATOM 2 C LIG 1 5.820 -0.779 1.288 0.00 0.00 +0.144 A ATOM 3 C LIG 1 5.003 -1.668 2.137 0.00 0.00 +0.351 A ATOM 4 O LIG 1 5.418 -2.151 3.184 0.00 0.00 -0.244 OA ATOM 5 O LIG 1 3.698 -1.913 1.711 0.00 0.00 -0.421 OA ATOM 6 C LIG 1 3.161 -1.287 0.572 0.00 0.00 +0.143 A ATOM 7 C LIG 1 3.933 -0.421 -0.191 0.00 0.00 +0.019 A ATOM 8 C LIG 1 3.354 0.185 -1.307 0.00 0.00 +0.015 A ATOM 9 C LIG 1 2.019 -0.082 -1.643 0.00 0.00 +0.046 A ATOM 10 C LIG 1 1.254 -0.957 -0.867 0.00 0.00 +0.124 A ATOM 11 C LIG 1 1.835 -1.562 0.249 0.00 0.00 +0.092 A ATOM 12 C LIG 1 5.315 -0.189 0.191 0.00 0.00 +0.033 A BRANCH 2 13 ATOM 13 C LIG 1 7.244 -0.564 1.613 0.00 0.00 +0.346 C ATOM 14 O LIG 1 8.025 -1.452 1.914 0.00 0.00 -0.245 OA BRANCH 13 16 ATOM 15 C LIG 1 8.911 1.060 1.827 0.00 0.00 +0.280 C ATOM 16 O LIG 1 7.551 0.757 1.507 0.00 0.00 -0.464 OA ENDBRANCH 13 16 ENDBRANCH 2 13 ENDBRANCH 1 10 BRANCH 1 17 ATOM 17 C LIG 1 -0.744 -0.767 -2.209 0.00 0.00 +0.235 C BRANCH 17 18 ATOM 18 C LIG 1 -1.329 0.617 -1.922 0.00 0.00 +0.100 C BRANCH 18 19 ATOM 19 C LIG 1 -2.504 0.559 -1.011 0.00 0.00 +0.086 A ATOM 20 C LIG 1 -2.553 0.494 0.365 0.00 0.00 +0.126 A ATOM 21 C LIG 1 -1.550 0.447 1.442 0.00 0.00 +0.088 C ATOM 22 O LIG 1 -3.867 0.455 0.736 0.00 0.00 -0.440 OA ATOM 23 C LIG 1 -4.558 0.501 -0.447 0.00 0.00 +0.228 A ATOM 24 N LIG 1 -3.786 0.566 -1.516 0.00 0.00 -0.214 NA BRANCH 23 25 ATOM 25 C LIG 1 -6.015 0.474 -0.363 0.00 0.00 +0.040 A ATOM 26 C LIG 1 -6.774 0.529 -1.540 0.00 0.00 +0.051 A ATOM 27 C LIG 1 -8.163 0.504 -1.476 0.00 0.00 +0.124 A ATOM 28 F LIG 1 -8.876 0.558 -2.610 0.00 0.00 -0.205 F ATOM 29 C LIG 1 -8.826 0.425 -0.258 0.00 0.00 +0.038 A ATOM 30 C LIG 1 -8.087 0.369 0.921 0.00 0.00 +0.004 A ATOM 31 C LIG 1 -6.689 0.394 0.868 0.00 0.00 +0.013 A ENDBRANCH 23 25 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 7