REMARK Name = BDB035589 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.291 0.870 -0.295 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.436 -0.099 0.403 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.081 -1.105 0.987 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.851 0.285 0.323 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.951 -0.359 0.860 0.00 0.00 +0.018 A ATOM 6 C LIG 1 4.213 0.208 0.642 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.321 1.401 -0.116 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.190 2.043 -0.656 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.951 1.457 -0.417 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.589 1.889 -0.854 0.00 0.00 +0.150 C ENDROOT BRANCH 1 15 ATOM 11 C LIG 1 -3.683 1.990 -1.444 0.00 0.00 +0.029 A ATOM 12 C LIG 1 -4.485 1.053 -0.783 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -3.962 0.007 0.006 0.00 0.00 -0.030 A ATOM 14 C LIG 1 -2.554 -0.019 0.144 0.00 0.00 +0.028 A ATOM 15 C LIG 1 -1.704 0.915 -0.463 0.00 0.00 +0.039 A ATOM 16 C LIG 1 -2.297 1.916 -1.246 0.00 0.00 +0.046 A BRANCH 13 17 ATOM 17 C LIG 1 -4.895 -1.093 0.749 0.00 0.00 +0.060 C ATOM 18 C LIG 1 -5.134 -0.820 2.276 0.00 0.00 +0.051 C ATOM 19 C LIG 1 -6.523 -0.247 1.920 0.00 0.00 +0.120 C ATOM 20 C LIG 1 -6.454 -1.042 0.602 0.00 0.00 +0.051 C BRANCH 17 21 ATOM 21 C LIG 1 -4.383 -2.566 0.447 0.00 0.00 +0.144 A ATOM 22 N LIG 1 -4.126 -3.123 -0.777 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -4.246 -2.512 -2.071 0.00 0.00 +0.151 C ATOM 24 C LIG 1 -3.741 -4.405 -0.533 0.00 0.00 +0.224 A ATOM 25 N LIG 1 -3.780 -4.637 0.758 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 -4.185 -3.478 1.376 0.00 0.00 -0.134 NA ENDBRANCH 17 21 BRANCH 19 27 ATOM 27 O LIG 1 -6.630 1.185 1.758 0.00 0.00 -0.380 OA ATOM 28 C LIG 1 -6.628 1.949 2.956 0.00 0.00 +0.194 C ENDBRANCH 19 27 ENDBRANCH 13 17 BRANCH 11 30 ATOM 29 C LIG 1 -5.583 3.088 -2.584 0.00 0.00 +0.125 C ATOM 30 N LIG 1 -4.191 3.069 -2.173 0.00 0.00 -0.347 N ATOM 31 H LIG 1 -3.554 3.391 -2.896 0.00 0.00 +0.146 HD ENDBRANCH 11 30 ENDBRANCH 1 15 BRANCH 8 32 ATOM 32 C LIG 1 3.308 3.304 -1.467 0.00 0.00 +0.418 C ATOM 33 F LIG 1 2.579 4.325 -0.937 0.00 0.00 -0.166 F ATOM 34 F LIG 1 4.579 3.772 -1.587 0.00 0.00 -0.166 F ATOM 35 F LIG 1 2.842 3.143 -2.737 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 5.459 -0.451 1.193 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 6.265 -0.992 0.099 0.00 0.00 -0.307 NA ATOM 38 H LIG 1 5.729 -1.727 -0.362 0.00 0.00 +0.123 HD BRANCH 37 39 ATOM 39 C LIG 1 7.607 -1.422 0.537 0.00 0.00 +0.017 C ATOM 40 C LIG 1 8.541 -0.185 0.661 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.876 -0.328 -0.837 0.00 0.00 +0.004 C ATOM 42 C LIG 1 8.401 -1.792 -0.751 0.00 0.00 +0.022 C ATOM 43 C LIG 1 7.624 -2.474 1.626 0.00 0.00 +0.027 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 9