REMARK Name = BDB010466 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.579 -0.326 0.531 0.00 0.00 +0.150 A ATOM 2 C LIG 1 0.438 -0.456 -0.247 0.00 0.00 +0.129 A ATOM 3 C LIG 1 0.503 -1.203 -1.408 0.00 0.00 +0.186 A ATOM 4 N LIG 1 -0.691 -1.226 -2.065 0.00 0.00 -0.194 NA ATOM 5 C LIG 1 -1.531 -0.592 -1.281 0.00 0.00 +0.201 A ATOM 6 N LIG 1 1.607 -1.822 -1.847 0.00 0.00 -0.193 NA ATOM 7 C LIG 1 2.666 -1.697 -1.051 0.00 0.00 +0.222 A ATOM 8 N LIG 1 -0.871 -0.028 -0.202 0.00 0.00 -0.307 N ATOM 9 N LIG 1 2.675 -0.986 0.093 0.00 0.00 -0.197 NA ENDROOT BRANCH 5 10 ATOM 10 N LIG 1 -2.865 -0.421 -1.503 0.00 0.00 -0.289 N ATOM 11 C LIG 1 -3.857 -1.175 -0.667 0.00 0.00 +0.132 C ATOM 12 C LIG 1 -5.075 -1.656 -1.509 0.00 0.00 +0.187 C ATOM 13 O LIG 1 -4.740 -2.348 -2.720 0.00 0.00 -0.376 OA ATOM 14 C LIG 1 -3.673 -1.733 -3.459 0.00 0.00 +0.179 C ATOM 15 C LIG 1 -3.245 -0.359 -2.932 0.00 0.00 +0.136 C BRANCH 11 16 ATOM 16 C LIG 1 -3.299 -2.313 0.187 0.00 0.00 -0.025 A ATOM 17 C LIG 1 -2.664 -3.430 -0.377 0.00 0.00 +0.005 A ATOM 18 C LIG 1 -2.165 -4.456 0.429 0.00 0.00 +0.000 A ATOM 19 C LIG 1 -2.302 -4.388 1.812 0.00 0.00 +0.000 A ATOM 20 C LIG 1 -2.941 -3.296 2.391 0.00 0.00 +0.000 A ATOM 21 C LIG 1 -3.439 -2.269 1.586 0.00 0.00 +0.005 A ENDBRANCH 11 16 ENDBRANCH 5 10 BRANCH 7 22 ATOM 22 N LIG 1 3.837 -2.313 -1.428 0.00 0.00 -0.286 N ATOM 23 C LIG 1 3.821 -3.283 -2.531 0.00 0.00 +0.185 C ATOM 24 C LIG 1 5.186 -3.963 -2.400 0.00 0.00 +0.035 C ATOM 25 C LIG 1 5.428 -3.958 -0.898 0.00 0.00 +0.021 C ATOM 26 C LIG 1 4.856 -2.616 -0.440 0.00 0.00 +0.109 C BRANCH 23 27 ATOM 27 C LIG 1 3.679 -2.666 -3.919 0.00 0.00 +0.325 C ATOM 28 O LIG 1 3.352 -3.275 -4.930 0.00 0.00 -0.249 OA BRANCH 27 29 ATOM 29 O LIG 1 4.038 -1.368 -4.014 0.00 0.00 -0.479 OA ATOM 30 H LIG 1 3.832 -1.136 -4.941 0.00 0.00 +0.295 HD ENDBRANCH 27 29 ENDBRANCH 23 27 ENDBRANCH 7 22 BRANCH 1 31 ATOM 31 N LIG 1 1.630 0.447 1.696 0.00 0.00 -0.324 N ATOM 32 H LIG 1 1.245 1.357 1.478 0.00 0.00 +0.148 HD BRANCH 31 34 ATOM 33 C LIG 1 3.159 -0.712 3.228 0.00 0.00 +0.028 C ATOM 34 C LIG 1 2.928 0.542 2.375 0.00 0.00 +0.072 C BRANCH 34 35 ATOM 35 C LIG 1 3.012 1.775 3.301 0.00 0.00 +0.009 C ATOM 36 C LIG 1 2.761 3.175 2.683 0.00 0.00 +0.005 C ATOM 37 C LIG 1 1.404 3.227 3.403 0.00 0.00 +0.001 C ATOM 38 C LIG 1 1.867 2.072 4.305 0.00 0.00 +0.005 C ENDBRANCH 34 35 ENDBRANCH 31 34 ENDBRANCH 1 31 BRANCH 8 39 ATOM 39 C LIG 1 -1.468 0.872 0.766 0.00 0.00 +0.128 C BRANCH 39 40 ATOM 40 C LIG 1 -1.835 2.259 0.204 0.00 0.00 +0.009 C ATOM 41 C LIG 1 -0.621 3.014 -0.368 0.00 0.00 +0.005 C ATOM 42 C LIG 1 -0.698 4.533 -0.200 0.00 0.00 +0.003 C ATOM 43 C LIG 1 -2.120 5.091 -0.308 0.00 0.00 -0.014 C ATOM 44 C LIG 1 -2.655 4.987 -1.740 0.00 0.00 +0.007 C ATOM 45 C LIG 1 -3.070 4.420 0.700 0.00 0.00 +0.003 C ATOM 46 C LIG 1 -2.551 3.096 1.269 0.00 0.00 +0.005 C ENDBRANCH 39 40 ENDBRANCH 8 39 TORSDOF 10