REMARK Name = BDB039940 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.733 -1.134 -0.356 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.974 -1.589 0.965 0.00 0.00 +0.017 A ATOM 3 C LIG 1 2.923 -1.852 1.863 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.626 -1.646 1.402 0.00 0.00 -0.006 A ATOM 5 C LIG 1 0.321 -1.828 2.109 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.667 -1.457 1.104 0.00 0.00 -0.263 N ATOM 7 C LIG 1 -0.054 -1.068 -0.092 0.00 0.00 +0.251 C ATOM 8 O LIG 1 -0.524 -0.672 -1.143 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.395 -1.200 0.107 0.00 0.00 +0.043 A ATOM 10 C LIG 1 2.415 -0.938 -0.789 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -2.065 -1.507 1.364 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -3.013 -1.212 0.371 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -4.413 -1.251 0.588 0.00 0.00 -0.032 A ATOM 14 C LIG 1 -4.829 -1.589 1.888 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -3.914 -1.893 2.893 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -2.544 -1.857 2.631 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.467 -0.882 -0.610 0.00 0.00 +0.080 C ATOM 18 C LIG 1 -5.203 -1.627 -1.952 0.00 0.00 +0.177 C ATOM 19 O LIG 1 -6.332 -2.506 -1.737 0.00 0.00 -0.378 OA ATOM 20 C LIG 1 -6.800 -1.678 -0.647 0.00 0.00 +0.177 C BRANCH 17 21 ATOM 21 C LIG 1 -5.617 0.644 -0.656 0.00 0.00 +0.248 C ATOM 22 F LIG 1 -6.001 1.037 0.602 0.00 0.00 -0.236 F BRANCH 21 23 ATOM 23 C LIG 1 -6.554 1.252 -1.648 0.00 0.00 +0.168 A ATOM 24 N LIG 1 -7.173 2.468 -1.481 0.00 0.00 -0.318 N ATOM 25 C LIG 1 -7.059 3.372 -0.368 0.00 0.00 +0.151 C ATOM 26 C LIG 1 -7.923 2.674 -2.597 0.00 0.00 +0.224 A ATOM 27 N LIG 1 -7.774 1.661 -3.415 0.00 0.00 -0.138 NA ATOM 28 N LIG 1 -6.911 0.773 -2.824 0.00 0.00 -0.132 NA ENDBRANCH 21 23 ENDBRANCH 17 21 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 29 ATOM 29 C LIG 1 3.181 -2.321 3.269 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.532 -3.486 3.548 0.00 0.00 -0.166 F ATOM 31 F LIG 1 4.492 -2.544 3.550 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.740 -1.426 4.197 0.00 0.00 -0.166 F ENDBRANCH 3 29 BRANCH 1 33 ATOM 33 C LIG 1 4.897 -0.861 -1.287 0.00 0.00 +0.119 C BRANCH 33 36 ATOM 34 C LIG 1 7.468 1.776 -1.424 0.00 0.00 +0.133 C ATOM 35 C LIG 1 7.012 0.314 -1.577 0.00 0.00 +0.116 C ATOM 36 N LIG 1 5.775 0.196 -0.786 0.00 0.00 -0.296 NA ATOM 37 C LIG 1 5.170 1.527 -0.803 0.00 0.00 +0.087 C ATOM 38 C LIG 1 6.375 2.420 -0.575 0.00 0.00 +0.048 C BRANCH 34 40 ATOM 39 C LIG 1 9.301 3.153 -0.809 0.00 0.00 +0.194 C ATOM 40 O LIG 1 8.749 1.843 -0.802 0.00 0.00 -0.378 OA ENDBRANCH 34 40 ENDBRANCH 33 36 ENDBRANCH 1 33 TORSDOF 8