REMARK Name = BDB054343 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.182 -1.526 -0.078 0.00 0.00 +0.001 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 1.666 -1.277 -0.363 0.00 0.00 +0.006 C BRANCH 2 3 ATOM 3 C LIG 1 2.496 -1.022 0.898 0.00 0.00 +0.059 C BRANCH 3 6 ATOM 4 C LIG 1 4.991 -3.295 0.829 0.00 0.00 +0.088 C ATOM 5 C LIG 1 4.935 -1.847 0.573 0.00 0.00 +0.126 A ATOM 6 C LIG 1 3.945 -0.888 0.591 0.00 0.00 +0.083 A ATOM 7 N LIG 1 4.483 0.334 0.258 0.00 0.00 -0.214 NA ATOM 8 C LIG 1 5.763 0.084 0.055 0.00 0.00 +0.228 A ATOM 9 O LIG 1 6.107 -1.232 0.233 0.00 0.00 -0.440 OA BRANCH 8 10 ATOM 10 C LIG 1 6.834 1.001 -0.326 0.00 0.00 +0.037 A ATOM 11 C LIG 1 8.158 0.569 -0.498 0.00 0.00 +0.013 A ATOM 12 C LIG 1 9.163 1.471 -0.863 0.00 0.00 +0.001 A ATOM 13 C LIG 1 8.856 2.815 -1.060 0.00 0.00 +0.000 A ATOM 14 C LIG 1 7.546 3.261 -0.894 0.00 0.00 +0.001 A ATOM 15 C LIG 1 6.543 2.359 -0.529 0.00 0.00 +0.013 A ENDBRANCH 8 10 ENDBRANCH 3 6 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 16 ATOM 16 C LIG 1 -0.551 -0.289 0.452 0.00 0.00 +0.008 C BRANCH 16 17 ATOM 17 C LIG 1 -2.048 -0.541 0.718 0.00 0.00 +0.041 C ATOM 18 C LIG 1 -2.798 -0.921 -0.557 0.00 0.00 +0.169 C ATOM 19 O LIG 1 -4.189 -0.628 -0.409 0.00 0.00 -0.340 OA ATOM 20 C LIG 1 -4.417 0.791 -0.308 0.00 0.00 +0.270 C ATOM 21 O LIG 1 -3.336 1.470 0.343 0.00 0.00 -0.340 OA ATOM 22 C LIG 1 -2.718 0.680 1.351 0.00 0.00 +0.169 C BRANCH 20 23 ATOM 23 C LIG 1 -4.606 1.369 -1.750 0.00 0.00 +0.365 C ATOM 24 O LIG 1 -4.531 2.546 -2.072 0.00 0.00 -0.245 OA BRANCH 23 25 ATOM 25 O LIG 1 -4.896 0.389 -2.656 0.00 0.00 -0.477 OA ATOM 26 H LIG 1 -4.883 -0.481 -2.198 0.00 0.00 +0.295 HD ENDBRANCH 23 25 ENDBRANCH 20 23 BRANCH 20 27 ATOM 27 C LIG 1 -5.713 1.062 0.493 0.00 0.00 +0.080 C BRANCH 27 28 ATOM 28 C LIG 1 -7.044 0.522 -0.077 0.00 0.00 -0.012 C ATOM 29 C LIG 1 -7.136 -1.004 -0.068 0.00 0.00 +0.007 C ATOM 30 C LIG 1 -8.210 1.097 0.737 0.00 0.00 +0.007 C ENDBRANCH 27 28 ENDBRANCH 20 27 ENDBRANCH 16 17 ENDBRANCH 1 16 TORSDOF 10