REMARK Name = BDB035722 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.071 -0.276 0.813 0.00 0.00 -0.263 N ATOM 2 C LIG 1 1.289 0.026 1.431 0.00 0.00 +0.251 C ATOM 3 O LIG 1 1.548 0.410 2.556 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 2.344 -0.212 0.438 0.00 0.00 +0.043 A ATOM 5 C LIG 1 3.710 -0.048 0.575 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.520 -0.342 -0.530 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.922 -0.782 -1.737 0.00 0.00 +0.017 A ATOM 8 C LIG 1 2.529 -0.944 -1.859 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.753 -0.648 -0.741 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.271 -0.710 -0.563 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -3.664 -0.457 1.226 0.00 0.00 -0.035 A ATOM 12 C LIG 1 -2.370 -0.544 0.672 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.223 -0.172 1.397 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -1.406 0.301 2.701 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -2.683 0.411 3.259 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -3.805 0.039 2.527 0.00 0.00 +0.004 A BRANCH 11 17 ATOM 17 C LIG 1 -4.877 -0.883 0.396 0.00 0.00 +0.090 C BRANCH 17 20 ATOM 18 C LIG 1 -4.404 -3.744 1.547 0.00 0.00 +0.151 C ATOM 19 N LIG 1 -5.610 -2.969 1.669 0.00 0.00 -0.320 N ATOM 20 C LIG 1 -5.861 -1.707 1.182 0.00 0.00 +0.141 A ATOM 21 N LIG 1 -7.087 -1.371 1.536 0.00 0.00 -0.134 NA ATOM 22 N LIG 1 -7.638 -2.406 2.249 0.00 0.00 -0.138 NA ATOM 23 C LIG 1 -6.738 -3.357 2.324 0.00 0.00 +0.224 A ENDBRANCH 17 20 BRANCH 17 24 ATOM 24 C LIG 1 -5.443 0.363 -0.311 0.00 0.00 +0.004 C ATOM 25 C LIG 1 -6.243 1.439 0.464 0.00 0.00 +0.008 C ATOM 26 C LIG 1 -7.454 1.219 -0.465 0.00 0.00 -0.013 C ATOM 27 C LIG 1 -7.905 2.435 -1.255 0.00 0.00 +0.007 C ATOM 28 C LIG 1 -6.653 0.165 -1.255 0.00 0.00 +0.008 C ENDBRANCH 17 24 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.894 -1.401 -3.144 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.784 -1.723 -4.119 0.00 0.00 -0.166 F ATOM 31 F LIG 1 1.071 -0.455 -3.675 0.00 0.00 -0.166 F ATOM 32 F LIG 1 1.114 -2.504 -2.965 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 6.021 -0.158 -0.451 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 6.424 1.021 -1.218 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.824 1.801 -0.948 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.863 1.305 -1.087 0.00 0.00 +0.017 C ATOM 37 C LIG 1 8.157 1.948 0.298 0.00 0.00 +0.022 C ATOM 38 C LIG 1 8.948 3.045 -0.446 0.00 0.00 +0.004 C ATOM 39 C LIG 1 8.109 2.718 -1.699 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.783 0.212 -1.601 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8