REMARK Name = BDB027480 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.644 -1.115 -0.212 0.00 0.00 +0.053 A ATOM 2 C LIG 1 0.203 -0.258 -0.929 0.00 0.00 -0.003 A ATOM 3 C LIG 1 1.572 -0.573 -1.027 0.00 0.00 +0.035 A ATOM 4 C LIG 1 2.076 -1.725 -0.426 0.00 0.00 +0.071 A ATOM 5 N LIG 1 1.264 -2.579 0.238 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -0.049 -2.257 0.330 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 3.504 -2.102 -0.474 0.00 0.00 +0.003 A ATOM 8 C LIG 1 4.529 -1.139 -0.535 0.00 0.00 +0.051 A ATOM 9 C LIG 1 5.869 -1.524 -0.580 0.00 0.00 +0.159 A ATOM 10 F LIG 1 6.818 -0.580 -0.642 0.00 0.00 -0.202 F ATOM 11 C LIG 1 6.220 -2.866 -0.561 0.00 0.00 +0.158 A ATOM 12 F LIG 1 7.508 -3.230 -0.607 0.00 0.00 -0.202 F ATOM 13 C LIG 1 5.236 -3.842 -0.491 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.891 -3.459 -0.445 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 17 ATOM 15 C LIG 1 -4.099 -0.726 1.324 0.00 0.00 +0.094 C ATOM 16 C LIG 1 -2.542 -0.818 1.286 0.00 0.00 +0.140 C ATOM 17 N LIG 1 -2.017 -0.831 -0.107 0.00 0.00 -0.326 N ATOM 18 C LIG 1 -2.835 -1.552 -1.103 0.00 0.00 +0.105 C ATOM 19 C LIG 1 -3.760 -2.570 -0.447 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -4.705 -1.945 0.588 0.00 0.00 +0.038 C BRANCH 15 21 ATOM 21 N LIG 1 -4.596 -0.727 2.709 0.00 0.00 -0.314 NA ATOM 22 H LIG 1 -4.253 0.109 3.184 0.00 0.00 +0.120 HD ATOM 23 H LIG 1 -5.612 -0.637 2.695 0.00 0.00 +0.120 HD ENDBRANCH 15 21 BRANCH 15 25 ATOM 24 C LIG 1 -4.955 1.563 0.206 0.00 0.00 +0.006 C ATOM 25 C LIG 1 -4.566 0.538 0.699 0.00 0.00 -0.082 C ENDBRANCH 15 25 ENDBRANCH 1 17 BRANCH 2 26 ATOM 26 C LIG 1 -0.297 1.016 -1.564 0.00 0.00 +0.161 C BRANCH 26 27 ATOM 27 N LIG 1 -0.085 2.157 -0.696 0.00 0.00 -0.310 N ATOM 28 C LIG 1 1.017 2.968 -0.677 0.00 0.00 +0.166 A ATOM 29 C LIG 1 0.735 3.924 0.287 0.00 0.00 +0.147 A ATOM 30 C LIG 1 1.724 4.894 0.519 0.00 0.00 +0.147 A ATOM 31 N LIG 1 2.858 4.851 -0.217 0.00 0.00 -0.219 NA ATOM 32 C LIG 1 2.997 3.857 -1.121 0.00 0.00 +0.225 A ATOM 33 N LIG 1 -0.520 3.724 0.827 0.00 0.00 -0.231 NA ATOM 34 N LIG 1 2.131 2.868 -1.423 0.00 0.00 -0.216 NA ATOM 35 C LIG 1 -0.980 2.653 0.214 0.00 0.00 +0.202 A BRANCH 30 36 ATOM 36 N LIG 1 1.584 5.914 1.451 0.00 0.00 -0.341 N ATOM 37 H LIG 1 0.621 6.095 1.709 0.00 0.00 +0.144 HD ATOM 38 H LIG 1 2.177 6.707 1.243 0.00 0.00 +0.144 HD ENDBRANCH 30 36 ENDBRANCH 26 27 ENDBRANCH 2 26 TORSDOF 7