REMARK Name = BDB057558 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.927 3.433 0.793 0.00 0.00 +0.068 C ENDROOT BRANCH 1 5 ATOM 2 C LIG 1 -0.930 0.295 -0.075 0.00 0.00 +0.121 A ATOM 3 C LIG 1 -0.205 0.285 1.117 0.00 0.00 +0.046 A ATOM 4 C LIG 1 0.710 1.299 1.406 0.00 0.00 +0.007 A ATOM 5 C LIG 1 0.921 2.342 0.498 0.00 0.00 -0.045 A ATOM 6 C LIG 1 0.187 2.353 -0.695 0.00 0.00 +0.007 A ATOM 7 C LIG 1 -0.732 1.336 -0.981 0.00 0.00 +0.046 A BRANCH 2 8 ATOM 8 O LIG 1 -1.790 -0.756 -0.231 0.00 0.00 -0.492 OA BRANCH 8 9 ATOM 9 C LIG 1 -2.538 -0.815 -1.448 0.00 0.00 +0.235 C BRANCH 9 10 ATOM 10 C LIG 1 -3.421 -2.062 -1.420 0.00 0.00 +0.100 C BRANCH 10 13 ATOM 11 C LIG 1 -3.811 -2.224 1.928 0.00 0.00 +0.088 C ATOM 12 C LIG 1 -4.740 -1.967 0.815 0.00 0.00 +0.126 A ATOM 13 C LIG 1 -4.621 -1.888 -0.556 0.00 0.00 +0.086 A ATOM 14 N LIG 1 -5.850 -1.598 -1.108 0.00 0.00 -0.214 NA ATOM 15 C LIG 1 -6.661 -1.510 -0.070 0.00 0.00 +0.228 A ATOM 16 O LIG 1 -6.045 -1.724 1.137 0.00 0.00 -0.440 OA BRANCH 15 17 ATOM 17 C LIG 1 -8.092 -1.221 -0.039 0.00 0.00 +0.037 A ATOM 18 C LIG 1 -8.810 -1.143 1.165 0.00 0.00 +0.013 A ATOM 19 C LIG 1 -10.180 -0.865 1.164 0.00 0.00 +0.001 A ATOM 20 C LIG 1 -10.850 -0.661 -0.041 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -10.153 -0.734 -1.244 0.00 0.00 +0.001 A ATOM 22 C LIG 1 -8.783 -1.012 -1.242 0.00 0.00 +0.013 A ENDBRANCH 15 17 ENDBRANCH 10 13 ENDBRANCH 9 10 ENDBRANCH 8 9 ENDBRANCH 2 8 ENDBRANCH 1 5 BRANCH 1 23 ATOM 23 CA LIG 1 3.395 3.100 0.451 0.00 0.00 +0.184 C BRANCH 23 24 ATOM 24 C LIG 1 3.552 2.729 -1.032 0.00 0.00 +0.326 C ATOM 25 O LIG 1 4.026 1.708 -1.508 0.00 0.00 -0.249 OA BRANCH 24 26 ATOM 26 OXT LIG 1 3.147 3.717 -1.864 0.00 0.00 -0.479 OA ATOM 27 HXT LIG 1 3.321 3.346 -2.756 0.00 0.00 +0.295 HD ENDBRANCH 24 26 ENDBRANCH 23 24 BRANCH 23 28 ATOM 28 N LIG 1 3.903 2.048 1.369 0.00 0.00 -0.331 N ATOM 29 H LIG 1 3.399 1.161 1.222 0.00 0.00 +0.147 HD BRANCH 28 30 ATOM 30 C LIG 1 5.291 1.796 1.349 0.00 0.00 +0.039 A ATOM 31 C LIG 1 5.817 0.519 1.044 0.00 0.00 +0.043 A ATOM 32 C LIG 1 7.203 0.294 1.063 0.00 0.00 +0.013 A ATOM 33 C LIG 1 8.078 1.338 1.360 0.00 0.00 +0.001 A ATOM 34 C LIG 1 7.575 2.602 1.651 0.00 0.00 +0.002 A ATOM 35 C LIG 1 6.195 2.826 1.651 0.00 0.00 +0.023 A BRANCH 31 36 ATOM 36 C LIG 1 4.904 -0.610 0.714 0.00 0.00 +0.195 C ATOM 37 O LIG 1 3.861 -0.757 1.348 0.00 0.00 -0.287 OA BRANCH 36 38 ATOM 38 C LIG 1 5.219 -1.565 -0.376 0.00 0.00 +0.025 A ATOM 39 C LIG 1 4.811 -2.891 -0.237 0.00 0.00 +0.031 A ATOM 40 C LIG 1 5.104 -3.768 -1.265 0.00 0.00 +0.111 A ATOM 41 N LIG 1 5.754 -3.409 -2.393 0.00 0.00 -0.263 NA ATOM 42 C LIG 1 6.109 -2.111 -2.511 0.00 0.00 +0.111 A ATOM 43 C LIG 1 5.866 -1.156 -1.541 0.00 0.00 +0.031 A ENDBRANCH 36 38 ENDBRANCH 31 36 ENDBRANCH 28 30 ENDBRANCH 23 28 ENDBRANCH 1 23 TORSDOF 13